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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CCC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CCC4=CN=CN4

InChI

InChI=1S/C22H25BrN4O2S/c1-30(28,29)27-14-18-12-19(23)7-8-22(18)26(10-9-20-13-24-16-25-20)15-21(27)11-17-5-3-2-4-6-17/h2-8,12-13,16,21H,9-11,14-15H2,1H3,(H,24,25)