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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-methylpropylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-isobutylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(2-methylpropylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(2-methylpropylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-isobutylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CC(C)CS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C25H29N5O2S/c1-19(2)17-33(31,32)30-14-22-10-21(12-26)8-9-25(22)29(15-23-13-27-18-28-23)16-24(30)11-20-6-4-3-5-7-20/h3-10,13,18-19,24H,11,14-17H2,1-2H3,(H,27,28)