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

Systemtic Name: 3-(phenylmethyl)-4-propylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-propylsulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-propylsulfonyl-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-propylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-propylsulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H28N4O2S/c1-2-13-33(31,32)30-19-24-14-22(16-27)10-11-26(24)29(18-23-9-6-12-28-17-23)20-25(30)15-21-7-4-3-5-8-21/h3-12,14,17,25H,2,13,15,18-20H2,1H3