4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 4-methylsulfonyl-7-phenyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 4-methylsulfonyl-7-phenyl-3-(3-pyridinylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 4-methylsulfonyl-7-phenyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 4-mesyl-7-phenyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=CC=C3)NCC1CC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=CC=C3)NCC1CC4=CN=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-28(26,27)25-16-20-13-19(18-7-3-2-4-8-18)9-10-22(20)24-15-21(25)12-17-6-5-11-23-14-17/h2-11,13-14,21,24H,12,15-16H2,1H3