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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-benzylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-benzylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-benzylsulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C28H27N5O2S MolecularWeight: 497.61128

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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)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)S(=O)(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c29-15-24-11-12-28-25(13-24)17-33(36(34,35)20-23-9-5-2-6-10-23)27(14-22-7-3-1-4-8-22)19-32(28)18-26-16-30-21-31-26/h1-13,16,21,27H,14,17-20H2,(H,30,31)