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

Systemtic Name: 7-cyano-N,N-dimethyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-7-cyano-N,N-dimethyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide CAS Name: 7-cyano-N,N-dimethyl-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-7-cyano-N,N-dimethyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-7-cyano-N,N-dimethyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-sulfonamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2S/c1-28(2)33(31,32)30-18-23-13-21(15-26)10-11-25(23)29(17-22-9-6-12-27-16-22)19-24(30)14-20-7-4-3-5-8-20/h3-13,16,24H,14,17-19H2,1-2H3