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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=CC=C3)N(CC1CC4=CN=CC=C4)CC5=CN=CN5

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CC=CC=C3)N(CC1CC4=CN=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H31N5O2S/c1-2-13-36(34,35)33-18-25-15-24(23-8-4-3-5-9-23)10-11-28(25)32(19-26-17-30-21-31-26)20-27(33)14-22-7-6-12-29-16-22/h3-12,15-17,21,27H,2,13-14,18-20H2,1H3,(H,30,31)