ethyl 4-[[3-[3-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-[3-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-[3-(trifluoromethyl)benzoyl]-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-[3-(trifluoromethyl)benzoyl]piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H22F3N3O3 MolecularWeight: 409.40219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3/c1-2-29-19(28)17-15(10-24-25-17)12-26-8-4-6-14(11-26)18(27)13-5-3-7-16(9-13)20(21,22)23/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3,(H,24,25)