ethyl 1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[5-phenyl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]isonipecotic acid ethyl ester Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H21F3N4O3/c1-2-32-21(31)15-8-10-28(11-9-15)20(30)16-13-26-29-18(22(23,24)25)12-17(27-19(16)29)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3