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

Systemtic Name: 5-[3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-7-methyl-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-7-methyl-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-7-methylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-7-methyl-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O3/c1-15-10-11-17-13-18(24(25)26-19(17)12-15)21-14-20(16-6-3-2-4-7-16)27-28(21)22(29)8-5-9-23(30)31/h2-4,6-7,10-13,21H,5,8-9,14H2,1H3,(H,30,31)