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

Systemtic Name: 7-cyano-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-7-cyano-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide CAS Name: 7-cyano-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-7-cyano-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-7-cyano-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C#N)S(=O)(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2S/c24-13-19-8-9-23-21(11-19)16-28(31(25,29)30)22(12-18-5-2-1-3-6-18)17-27(23)15-20-7-4-10-26-14-20/h1-11,14,22H,12,15-17H2,(H2,25,29,30)