(3R)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[4-(1-ethyl-5-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C17H19F3N5O2- MolecularWeight: 382.36027

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)N3CCC[C@H](C3)C(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C17H20F3N5O2/c1-3-25-10(2)12(8-21-25)13-7-14(17(18,19)20)23-16(22-13)24-6-4-5-11(9-24)15(26)27/h7-8,11H,3-6,9H2,1-2H3,(H,26,27)/p-1/t11-/m1/s1