ethyl 1-quinolin-2-yl-5-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-quinolin-2-yl-5-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-quinolyl)-5-[(2,3,6-trichlorobenzoyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[oxo-(2,3,6-trichlorophenyl)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-quinolin-2-yl-5-[(2,3,6-trichlorobenzoyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(2-quinolyl)-5-[(2,3,6-trichlorobenzoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C22H15Cl3N4O3 MolecularWeight: 489.7385

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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=C(C=CC(=C4Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

InChI

InChI=1S/C22H15Cl3N4O3/c1-2-32-22(31)13-11-26-29(17-10-7-12-5-3-4-6-16(12)27-17)20(13)28-21(30)18-14(23)8-9-15(24)19(18)25/h3-11H,2H2,1H3,(H,28,30)