1-[3-(1H-imidazol-2-yl)propyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[3-(1H-imidazol-2-yl)propyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[3-(1H-imidazol-2-yl)propyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[3-(1H-imidazol-2-yl)propyl]-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCCC4=NC=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCCC4=NC=CN4

InChI

InChI=1S/C24H27N5O2S/c1-32(30,31)29-17-21-14-20(16-25)9-10-23(21)28(13-5-8-24-26-11-12-27-24)18-22(29)15-19-6-3-2-4-7-19/h2-4,6-7,9-12,14,22H,5,8,13,15,17-18H2,1H3,(H,26,27)