1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-2-phenethyl-4-triflyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C22H23F3N4O2S MolecularWeight: 464.50383

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C(F)(F)F)CC3=CN=CN3)CCC4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C(F)(F)F)CC3=CN=CN3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23F3N4O2S/c23-22(24,25)32(30,31)28-13-18-8-4-5-9-21(18)29(14-19-12-26-16-27-19)20(15-28)11-10-17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,26,27)