methyl 5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-phenyl-5-[1-(p-tolyl)-3-(trifluoromethyl)pyrazol-4-yl]isoxazole-4-carboxylate CAS Name: 5-[1-(4-methylphenyl)-3-(trifluoromethyl)-4-pyrazolyl]-3-phenyl-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 3-phenyl-5-[1-(p-tolyl)-3-(trifluoromethyl)pyrazol-4-yl]isoxazole-4-carboxylic acid methyl ester Formula: C22H16F3N3O3 MolecularWeight: 427.37595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=C(C(=NO3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C3=C(C(=NO3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H16F3N3O3/c1-13-8-10-15(11-9-13)28-12-16(20(26-28)22(23,24)25)19-17(21(29)30-2)18(27-31-19)14-6-4-3-5-7-14/h3-12H,1-2H3