4-[5-(4-bromophenyl)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(2-chloro-7-methoxy-3-quinolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(2-chloro-7-methoxy-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-methoxy-3-quinolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H19BrClN3O4 MolecularWeight: 516.77166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C23H19BrClN3O4/c1-32-16-7-4-14-10-17(23(25)26-18(14)11-16)20-12-19(13-2-5-15(24)6-3-13)27-28(20)21(29)8-9-22(30)31/h2-7,10-11,20H,8-9,12H2,1H3,(H,30,31)