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

Systemtic Name: ethyl 5-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloro-6-fluoro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-6-fluorobenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-6-fluoro-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H16ClFN4O3 MolecularWeight: 438.838843

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClFN4O3/c1-2-31-22(30)14-12-25-28(18-11-10-13-6-3-4-9-17(13)26-18)20(14)27-21(29)19-15(23)7-5-8-16(19)24/h3-12H,2H2,1H3,(H,27,29)