[6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl benzoate

Systemtic Name: [6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl benzoate Openeye Name: [6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl benzoate CAS Name: benzoic acid [6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl ester IUPAC Name: [6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl benzoate Traditional Name: benzoic acid [6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl ester Formula: C25H16ClF3N4O2 MolecularWeight: 496.86835

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=C4Cl)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=C4Cl)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H16ClF3N4O2/c26-19-9-5-4-8-17(19)23-18-12-16(25(27,28)29)10-11-20(18)33-21(13-30-23)31-32-22(33)14-35-24(34)15-6-2-1-3-7-15/h1-12H,13-14H2