
 OpenBabel04291915453D

 42 44  0  0  0  0  0  0  0  0999 V2000
    8.1462   -1.7018    8.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913   -1.5123    6.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -1.0943    5.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224   -0.8610    4.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6749   -0.4563    3.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273   -0.2230    2.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271   -0.3944    2.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4795   -0.1611    0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0943    5.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793   -0.3326    0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548   -0.7240    1.4964 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7877   -0.9496    2.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1026   -0.7859    3.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138   -0.0900   -0.7217 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617   -0.2682   -1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141   -0.0349   -2.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6139   -0.2064   -2.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -0.6111   -1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -0.8444   -0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092   -0.6730   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732    0.1275   -4.3368 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.9810   -0.2841    3.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616    0.1339    2.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2601    0.2485    3.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4670   -2.0243    8.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   -0.7745    8.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9093   -2.4400    8.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6282   -0.7741    6.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9436   -2.4396    6.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8825    0.0880    1.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6140   -1.2736    6.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1217   -1.2602    3.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    0.2067   -1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693    0.2761   -3.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378   -0.7428   -1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538   -1.1554    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532   -0.8522    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5519    1.0875    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660   -0.5779    2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    0.9603    4.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9394    0.5710    2.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5697   -0.7051    3.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
>  <SKU>
A14953

>  <Product Name>
Compound 56

>  <CAS>
171745-13-4

>  <M.Wt>
388.25842

>  <Formula>
C18H18BrN3O2

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/compound-56.html

$$$$
