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

Systemtic Name: 5-[3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-7-methyl-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-7-methyl-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-7-methyl-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c1-15-6-9-17(10-7-15)21-14-22(29(28-21)23(30)4-3-5-24(31)32)19-13-18-11-8-16(2)12-20(18)27-25(19)26/h6-13,22H,3-5,14H2,1-2H3,(H,31,32)