7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-phenethyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-phenethyl-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(CC1CCC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CCC3=CC=CC=C3)CC4=CN=CN4

InChI

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