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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-2-yl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[(1-methyl-2-imidazolyl)sulfonyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-2-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H25N7O2S MolecularWeight: 487.5767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CN1C=CN=C1S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C25H25N7O2S/c1-30-10-9-28-25(30)35(33,34)32-15-21-11-20(13-26)7-8-24(21)31(16-22-14-27-18-29-22)17-23(32)12-19-5-3-2-4-6-19/h2-11,14,18,23H,12,15-17H2,1H3,(H,27,29)