7-bromanyl-1-[(1-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-[(1-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-[(1-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-[(1-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-[(1-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1-[(1-methylimidazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(N=C1)CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H25BrN4O2S/c1-25-13-20(24-16-25)14-26-15-21(10-17-6-4-3-5-7-17)27(30(2,28)29)12-18-11-19(23)8-9-22(18)26/h3-9,11,13,16,21H,10,12,14-15H2,1-2H3