5-[3-[(2-chloranyl-6-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-[(2-chloranyl-6-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(2-chloro-6-methyl-3-quinolyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-[(2-chloro-6-methyl-3-quinolinyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-[(2-chloro-6-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-[(2-chloro-6-methyl-3-quinolyl)methyl]-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)Cl)CC3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)Cl)CC3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O3/c1-16-10-11-21-18(12-16)13-19(25(26)27-21)14-20-15-22(17-6-3-2-4-7-17)28-29(20)23(30)8-5-9-24(31)32/h2-4,6-7,10-13,20H,5,8-9,14-15H2,1H3,(H,31,32)