methyl 5-ethyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-ethyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: methyl 5-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-ethyl-1-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylic acid methyl ester Formula: C18H16F3N5O3 MolecularWeight: 407.34655

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H16F3N5O3/c1-3-14-13(17(27)28-2)9-24-26(14)16-8-15(22-10-23-16)25-11-4-6-12(7-5-11)29-18(19,20)21/h4-10H,3H2,1-2H3,(H,22,23,25)