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

Systemtic Name: 1-[3-azanyl-1-(1H-imidazol-5-yl)propyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-[3-amino-1-(1H-imidazol-5-yl)propyl]-3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[3-amino-1-(1H-imidazol-5-yl)propyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-[3-amino-1-(1H-imidazol-5-yl)propyl]-3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-[3-amino-1-(1H-imidazol-5-yl)propyl]-3-benzyl-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H28N6O2S MolecularWeight: 464.58312

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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)C(CCN)C4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)C(CCN)C4=CN=CN4

InChI

InChI=1S/C24H28N6O2S/c1-33(31,32)30-15-20-11-19(13-26)7-8-23(20)29(24(9-10-25)22-14-27-17-28-22)16-21(30)12-18-5-3-2-4-6-18/h2-8,11,14,17,21,24H,9-10,12,15-16,25H2,1H3,(H,27,28)