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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-besyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C2N1CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C2N1CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c31-33(32,25-12-5-2-6-13-25)30-17-22-11-7-8-14-26(22)29(18-23-16-27-20-28-23)19-24(30)15-21-9-3-1-4-10-21/h1-14,16,20,24H,15,17-19H2,(H,27,28)