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

Systemtic Name: 4-[3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chloro-7-methyl-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chloro-7-methyl-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chloro-7-methylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chloro-7-methyl-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3O3/c1-14-7-8-16-12-17(23(24)25-18(16)11-14)20-13-19(15-5-3-2-4-6-15)26-27(20)21(28)9-10-22(29)30/h2-8,11-12,20H,9-10,13H2,1H3,(H,29,30)