1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1-ethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C16H17F3N5O2- MolecularWeight: 368.33369

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCN1C=C(C=N1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H18F3N5O2/c1-2-24-9-11(8-20-24)12-7-13(16(17,18)19)22-15(21-12)23-5-3-10(4-6-23)14(25)26/h7-10H,2-6H2,1H3,(H,25,26)/p-1