
 OpenBabel04291915413D

 66 71  0  0  0  0  0  0  0  0999 V2000
    0.9785    0.0591   -0.0778 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    0.0591   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    3.5061   -4.6177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    3.5061   -4.6177 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750    2.8259   -3.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    2.8259   -3.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595    3.5292   -4.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    3.5292   -4.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7549    4.2325   -5.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3037    2.1689   -2.8566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    2.1458   -2.8261 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231    2.1458   -2.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    0.7392   -0.9736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231    0.7392   -0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9945    1.4425   -1.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3375    1.4425   -1.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    2.1226   -2.7956 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725    0.0591   -0.0778 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -0.6922    0.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2429   -1.3908    1.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.1607    2.8457 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632   -2.8363    3.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032   -3.6323    4.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -4.2917    5.6524 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0084   -4.1374    5.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0310   -1.9888    2.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513   -1.8404    2.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4560   -3.3717    4.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7763   -3.2233    4.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2240   -2.4577    3.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5502   -2.3086    3.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0126   -1.5179    1.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5326   -1.5179    1.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0059   -0.7083    0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4259   -0.7083    0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1572   -5.1095    6.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -3.1637    2.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -0.4565    0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.5746   -0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755    4.0697   -5.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994    2.9888   -3.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794    4.7699   -6.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8535    0.9020   -1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400   -1.4223    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400   -0.0307    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581   -0.6607    2.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8581   -2.0524    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784   -2.1062    4.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784   -3.4979    3.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880   -4.3624    4.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880   -2.9708    5.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2395   -1.5884    2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6953   -1.2521    1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7854   -2.8974    3.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4469   -3.6977    4.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -0.5170    2.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6559   -1.9086    1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892   -2.5187    1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892   -1.1271    2.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7826   -0.0982    0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7826   -1.7091    0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7826   -0.3175    1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376   -4.7080    7.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -6.0264    7.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399   -3.6251    1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779   -3.0621    1.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2 13  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  2  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 28  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 30  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 35  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 37  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END
>  <SKU>
A13504

>  <Product Name>
Preladenant

>  <CAS>
377727-87-2

>  <M.Wt>
503.55626

>  <Formula>
C25H29N9O3

>  <Synonyms>
SCH 420814

>  <URL>
https://www.adooq.com/preladenant.html

$$$$
