1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1-ethyl-3-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C17H19F3N5O2- MolecularWeight: 382.36027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N5O2/c1-3-25-9-12(10(2)23-25)13-8-14(17(18,19)20)22-16(21-13)24-6-4-11(5-7-24)15(26)27/h8-9,11H,3-7H2,1-2H3,(H,26,27)/p-1