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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)14-6-5-9-25(12-14)18(27)17-11-24-26(13(17)2)16-8-4-7-15(10-16)20(21,22)23/h4,7-8,10-11,14H,3,5-6,9,12H2,1-2H3