
 OpenBabel04291915473D

 49 51  0  0  0  0  0  0  0  0999 V2000
   -2.8765    6.2130   -6.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6365    5.3126   -5.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582    4.6572   -4.9794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    5.6738   -4.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310    5.5016   -5.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8720    4.6237   -4.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2149    4.6229   -4.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8863    3.8275   -4.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2293    3.8267   -4.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9007    3.0312   -3.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2005    3.8291   -4.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565    3.8300   -4.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995    3.0524   -3.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030    3.0541   -3.2646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0892    3.7820   -4.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073    3.7837   -4.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    4.5800   -4.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217    4.5817   -4.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    5.3779   -5.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    6.2324   -6.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122    7.1111   -7.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436    6.2309   -6.6462 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3361    5.3796   -5.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    2.9891   -3.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    2.1962   -2.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2180    2.1945   -2.3563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077    1.4698   -1.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719    6.7685   -7.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607    5.6145   -7.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2621    6.8897   -6.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738    4.6641   -4.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6501    6.6472   -4.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2058    5.6717   -4.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6975    4.9566   -3.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3887    5.2474   -6.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902    6.5226   -5.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7309    5.2336   -5.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3703    3.2168   -3.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7453    4.4373   -4.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7255    2.6066   -2.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4628    5.1907   -5.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    3.9710   -4.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    6.9787   -7.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    8.1319   -7.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    6.8572   -8.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857    5.6571   -6.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539    2.2883   -2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7102    2.7771   -2.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7102    1.6108   -1.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
>  <SKU>
A16064

>  <Product Name>
IQ-1

>  <CAS>
331001-62-8

>  <M.Wt>
362.42498

>  <Formula>
C21H22N4O2

>  <Synonyms>
IQ1

>  <URL>
https://www.adooq.com/iq-1.html

$$$$
