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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S/c1-30(28,29)27-12-18-7-16(9-22)4-5-21(18)26(13-19-11-24-15-25-19)14-20(27)8-17-3-2-6-23-10-17/h2-7,10-11,15,20H,8,12-14H2,1H3,(H,24,25)