1-[(3-methylimidazol-4-yl)methyl]-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-[(3-methylimidazol-4-yl)methyl]-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-propylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-[(3-methylimidazol-4-yl)methyl]-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-[(3-methylimidazol-4-yl)methyl]-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C24H28N6O2S MolecularWeight: 464.58312

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CN=CC=C3)CC4=CN=CN4C

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CN=CC=C3)CC4=CN=CN4C

InChI

InChI=1S/C24H28N6O2S/c1-3-9-33(31,32)30-15-21-10-19(12-25)6-7-24(21)29(17-23-14-27-18-28(23)2)16-22(30)11-20-5-4-8-26-13-20/h4-8,10,13-14,18,22H,3,9,11,15-17H2,1-2H3