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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-7-phenyl-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C29H32N4O2S MolecularWeight: 500.65498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O2S/c1-2-15-36(34,35)33-19-26-17-25(24-11-7-4-8-12-24)13-14-29(26)32(20-27-18-30-22-31-27)21-28(33)16-23-9-5-3-6-10-23/h3-14,17-18,22,28H,2,15-16,19-21H2,1H3,(H,30,31)