ethyl 1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(6-phenoxy-4-pyrimidinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H13F3N4O3 MolecularWeight: 378.30533

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3/c1-2-26-16(25)12-9-23-24(15(12)17(18,19)20)13-8-14(22-10-21-13)27-11-6-4-3-5-7-11/h3-10H,2H2,1H3