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

Systemtic Name: ethyl 5-[[2-(3,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[[2-(3,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C28H20Cl2N4O3 MolecularWeight: 531.3894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H20Cl2N4O3/c1-2-37-28(36)21-16-31-34(18-8-4-3-5-9-18)26(21)33-27(35)20-15-25(17-12-13-22(29)23(30)14-17)32-24-11-7-6-10-19(20)24/h3-16H,2H2,1H3,(H,33,35)