
 OpenBabel04291915383D

 35 36  0  0  0  0  0  0  0  0999 V2000
   -5.7600    1.3929   -0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4490    0.7896   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4102    1.3628   -0.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3952   -0.4309    0.2220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.9994    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082   -2.1731    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -2.7198    1.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8686   -3.8935    2.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049   -4.5205    2.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -0.3724    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912   -4.4813    2.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4475   -3.9081    2.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5375   -5.7018    3.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978   -6.2703    3.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495   -7.4440    4.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -7.9906    4.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891   -9.1643    5.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771   -9.7110    5.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342   -5.6432    3.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804   -4.4227    2.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5459    0.7570   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8386    1.5051   -1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8419    2.3520   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2283   -0.8906    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9815   -2.6550    1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470   -2.2379    1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931   -5.2628    2.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354    0.3699   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706   -6.1615    3.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237   -7.9258    4.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107   -7.5087    4.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159   -9.6462    5.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287  -10.4103    5.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -4.0219    2.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6135   -3.9630    2.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
>  <SKU>
A11964

>  <Product Name>
CI994 (Tacedinaline)

>  <CAS>
112522-64-2

>  <M.Wt>
269.2985

>  <Formula>
C15H15N3O2

>  <Synonyms>
CI-994, CI 994, Acetyldinaline, Goe 5549, G? 5549. PD 123654

>  <URL>
https://www.adooq.com/ci994-tacedinaline.html

$$$$
