1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(benzenesulfonyl)-1-[(3-methyl-4-imidazolyl)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-besyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-31-21-30-17-26(31)20-32-19-25(15-22-8-4-2-5-9-22)33(36(34,35)27-10-6-3-7-11-27)18-24-14-23(16-29)12-13-28(24)32/h2-14,17,21,25H,15,18-20H2,1H3