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

Systemtic Name: 7-phenyl-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Openeye Name: 7-phenyl-4-propylsulfonyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine CAS Name: 7-phenyl-4-propylsulfonyl-3-(3-pyridinylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 7-phenyl-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Traditional Name: 7-phenyl-4-propylsulfonyl-3-(3-pyridylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S/c1-2-13-30(28,29)27-18-22-15-21(20-8-4-3-5-9-20)10-11-24(22)26-17-23(27)14-19-7-6-12-25-16-19/h3-12,15-16,23,26H,2,13-14,17-18H2,1H3