ethyl 1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C20H22F3N3O3 MolecularWeight: 409.40219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C20H22F3N3O3/c1-3-29-19(28)14-7-9-25(10-8-14)18(27)17-12-24-26(13(17)2)16-6-4-5-15(11-16)20(21,22)23/h4-6,11-12,14H,3,7-10H2,1-2H3