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

Systemtic Name: 1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-5H-1,4-benzodiazepine CAS Name: 1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-5H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-5H-1,4-benzodiazepine Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC=C1CN2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-24-17-23-13-21(24)16-25-15-20(12-18-8-4-3-5-9-18)26(29(2,27)28)14-19-10-6-7-11-22(19)25/h3-11,13,15,17H,12,14,16H2,1-2H3