ethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C24H16F6N4O3 MolecularWeight: 522.399259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H16F6N4O3/c1-2-37-22(36)17-12-31-34(19-8-7-13-5-3-4-6-18(13)32-19)20(17)33-21(35)14-9-15(23(25,26)27)11-16(10-14)24(28,29)30/h3-12H,2H2,1H3,(H,33,35)