
 CHEMBL377194

 58 63  0  0  0  0  0  0  0  0999 V2000
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    0.0136   -1.7317    1.0313 N   0  0  0  0  0
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    5.0256   -0.8855    1.7905 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 41  1  0  0  0
  2  3  1  0  0  0
  2 42  1  0  0  0
  3  4  2  0  0  0
  3 43  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 44  1  0  0  0
  6 45  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 33  1  0  0  0
  9 10  1  0  0  0
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M  CHG  2  18   1  20  -1
M  END

>  <Chemical Name>
CHEMBL377194

>  <PubChem CID>
11713467

>  <Formula>
C29H18N6O5

>  <Molecular Weight>
530.500000

>  <IUPAC Name>
N-benzoyl-N-(6-nitro-1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)N(C2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)N(C2=NC3=C(C=CC=C3[N+](=O)[O-])N4C2=NN(C4=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C29H18N6O5/c36-27(19-11-4-1-5-12-19)33(28(37)20-13-6-2-7-14-20)25-26-31-34(21-15-8-3-9-16-21)29(38)32(26)22-17-10-18-23(35(39)40)24(22)30-25/h1-18H

>  <InChI Key>
AUZOWPAANDARJD-UHFFFAOYSA-N

