(1-phenylpyrazol-4-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H14F3N3O2 MolecularWeight: 397.34997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O2/c22-21(23,24)19-16-8-4-5-9-18(16)25-11-17(19)20(28)29-13-14-10-26-27(12-14)15-6-2-1-3-7-15/h1-12H,13H2