(2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C23H21F3N4O3 MolecularWeight: 458.43305

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O3/c24-23(25,26)17-10-7-11-18(14-17)30-21(16-8-3-1-4-9-16)27-20(28-30)22(32)33-15-19(31)29-12-5-2-6-13-29/h1,3-4,7-11,14H,2,5-6,12-13,15H2