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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(2-pyrrolidin-1-ylethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-pyrrolidin-1-ylethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-[2-(1-pyrrolidinyl)ethylsulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-pyrrolidin-1-ylethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-pyrrolidinoethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCS(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CCN(C1)CCS(=O)(=O)N2CC3=C(C=CC(=C3)C#N)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H32N6O2S/c28-16-23-8-9-27-24(14-23)18-33(36(34,35)13-12-31-10-4-5-11-31)26(15-22-6-2-1-3-7-22)20-32(27)19-25-17-29-21-30-25/h1-3,6-9,14,17,21,26H,4-5,10-13,15,18-20H2,(H,29,30)