ethyl 1-[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-ethyl-5-[3-(trifluoromethyl)phenyl]-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)N2CCCC(C2)C(=O)OCC)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)N2CCCC(C2)C(=O)OCC)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3/c1-3-27-18(14-7-5-9-16(11-14)21(22,23)24)12-17(25-27)19(28)26-10-6-8-15(13-26)20(29)30-4-2/h5,7,9,11-12,15H,3-4,6,8,10,13H2,1-2H3