1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H24N6O4S MolecularWeight: 528.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H24N6O4S/c28-14-21-10-11-25-22(12-21)16-32(38(36,37)27-9-5-4-8-26(27)33(34)35)24(13-20-6-2-1-3-7-20)18-31(25)17-23-15-29-19-30-23/h1-12,15,19,24H,13,16-18H2,(H,29,30)