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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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