1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2N(CC1CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2N(CC1CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C21H24N4O2S/c1-28(26,27)25-13-18-9-5-6-10-21(18)24(14-19-12-22-16-23-19)15-20(25)11-17-7-3-2-4-8-17/h2-10,12,16,20H,11,13-15H2,1H3,(H,22,23)