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

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)C#N)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-26-17-25-13-22(26)16-27-15-21(11-18-6-4-3-5-7-18)28(31(2,29)30)14-20-10-19(12-24)8-9-23(20)27/h3-10,13,17,21H,11,14-16H2,1-2H3