quinolin-8-ylmethyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: quinolin-8-ylmethyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: 8-quinolylmethyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid 8-quinolylmethyl ester Formula: C22H16F3N3O3 MolecularWeight: 427.37595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC=CC3=C2N=CC=C3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O3/c1-30-18-12-28(17-9-3-8-16(11-17)22(23,24)25)27-20(18)21(29)31-13-15-6-2-5-14-7-4-10-26-19(14)15/h2-12H,13H2,1H3