ethyl 4-phenethyl-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 4-phenethyl-1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=C2)C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=C2)C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3O3/c1-2-30-19(29)20(9-8-15-6-4-3-5-7-15)10-12-27(13-11-20)18(28)16-14-17(26-25-16)21(22,23)24/h3-7,14H,2,8-13H2,1H3,(H,25,26)