1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(phenylmethyl)-5H-1,4-benzodiazepine

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-3-(phenylmethyl)-5H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-5H-1,4-benzodiazepine CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-7-phenyl-3-(phenylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-7-phenyl-5H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-7-phenyl-5H-1,4-benzodiazepine Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C4=CC=CC=C4)S(=O)(=O)C)CC5=CC=CC=C5

Isomeric SMILES

CN1C=NC=C1CN2C=C(N(CC3=C2C=CC(=C3)C4=CC=CC=C4)S(=O)(=O)C)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-30-21-29-17-27(30)20-31-19-26(15-22-9-5-3-6-10-22)32(35(2,33)34)18-25-16-24(13-14-28(25)31)23-11-7-4-8-12-23/h3-14,16-17,19,21H,15,18,20H2,1-2H3