ethyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid ethyl ester Formula: C18H15F3N4O3 MolecularWeight: 392.33191

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H15F3N4O3/c1-3-28-16(26)13-8-9-25(24-13)17-22-14(10-15(23-17)18(19,20)21)11-4-6-12(27-2)7-5-11/h4-10H,3H2,1-2H3