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

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C22H24N6O2S MolecularWeight: 436.52996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2S/c1-26-16-25-12-21(26)15-27-14-20(9-18-4-3-7-24-11-18)28(31(2,29)30)13-19-8-17(10-23)5-6-22(19)27/h3-8,11-12,16,20H,9,13-15H2,1-2H3