ethyl 5-[[2-(4-chlorophenyl)carbonylphenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-(4-chlorophenyl)carbonylphenyl]carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-chlorobenzoyl)benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[2-[(4-chlorophenyl)-oxomethyl]phenyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorobenzoyl)benzoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[2-(4-chlorobenzoyl)benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H21ClN4O4 MolecularWeight: 524.95444

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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=CC=C4C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H21ClN4O4/c1-2-38-29(37)23-17-31-34(25-16-13-18-7-3-6-10-24(18)32-25)27(23)33-28(36)22-9-5-4-8-21(22)26(35)19-11-14-20(30)15-12-19/h3-17H,2H2,1H3,(H,33,36)