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

Systemtic Name: ethyl 5-[[2,5-bis(chloranyl)phenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2,5-dichlorobenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2,5-dichlorophenyl)-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,5-dichlorobenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2,5-dichlorobenzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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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(=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N4O3/c1-2-31-22(30)16-12-25-28(19-10-7-13-5-3-4-6-18(13)26-19)20(16)27-21(29)15-11-14(23)8-9-17(15)24/h3-12H,2H2,1H3,(H,27,29)