[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-[2-(1-piperidyl)-5-(trifluoromethyl)anilino]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[2-piperidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H20F3N3O3/c21-20(22,23)15-4-5-17(26-10-2-1-3-11-26)16(12-15)25-18(27)13-29-19(28)14-6-8-24-9-7-14/h4-9,12H,1-3,10-11,13H2,(H,25,27)