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

Systemtic Name: ethyl 1-quinolin-2-yl-5-[[4-(trifluoromethyl)phenyl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-quinolyl)-5-[[4-(trifluoromethyl)benzoyl]amino]pyrazole-4-carboxylate CAS Name: 5-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-quinolin-2-yl-5-[[4-(trifluoromethyl)benzoyl]amino]pyrazole-4-carboxylate Traditional Name: 1-(2-quinolyl)-5-[[4-(trifluoromethyl)benzoyl]amino]pyrazole-4-carboxylic acid ethyl ester Formula: C23H17F3N4O3 MolecularWeight: 454.40129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17F3N4O3/c1-2-33-22(32)17-13-27-30(19-12-9-14-5-3-4-6-18(14)28-19)20(17)29-21(31)15-7-10-16(11-8-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)