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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-triflyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H20BrF3N4O2S MolecularWeight: 529.37331

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)S(=O)(=O)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)S(=O)(=O)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H20BrF3N4O2S/c22-17-6-7-20-16(9-17)11-29(32(30,31)21(23,24)25)19(8-15-4-2-1-3-5-15)13-28(20)12-18-10-26-14-27-18/h1-7,9-10,14,19H,8,11-13H2,(H,26,27)