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

Systemtic Name: 4-[3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-8-methyl-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-8-methyl-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-8-methylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-8-methyl-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C(=CC=CC4=C3)C)Cl)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C(=CC=CC4=C3)C)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C24H22ClN3O3/c1-14-6-8-16(9-7-14)19-13-20(28(27-19)21(29)10-11-22(30)31)18-12-17-5-3-4-15(2)23(17)26-24(18)25/h3-9,12,20H,10-11,13H2,1-2H3,(H,30,31)