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

Systemtic Name: ethyl 1-[5-acetamido-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-acetamido-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-acetamido-6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-acetamido-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-acetamido-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H23F3N6O4 MolecularWeight: 456.41893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C19H23F3N6O4/c1-4-31-18(30)12-5-7-28(8-6-12)16-15(25-11(2)29)17(24-10-23-16)32-14-9-13(19(20,21)22)26-27(14)3/h9-10,12H,4-8H2,1-3H3,(H,25,29)