4-[5-(4-bromophenyl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(2-chloro-8-methyl-3-quinolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(2-chloro-8-methyl-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(2-chloro-8-methylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(2-chloro-8-methyl-3-quinolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H19BrClN3O3 MolecularWeight: 500.77226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrClN3O3/c1-13-3-2-4-15-11-17(23(25)26-22(13)15)19-12-18(14-5-7-16(24)8-6-14)27-28(19)20(29)9-10-21(30)31/h2-8,11,19H,9-10,12H2,1H3,(H,30,31)