4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(2-fluorophenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C29H23BrFN3O3 MolecularWeight: 560.413623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CC=C5F)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CC=C5F)C(=O)CCC(=O)O

InChI

InChI=1S/C29H23BrFN3O3/c1-17-28(29(18-7-3-2-4-8-18)21-15-19(30)11-12-23(21)32-17)24-16-25(20-9-5-6-10-22(20)31)34(33-24)26(35)13-14-27(36)37/h2-12,15,25H,13-14,16H2,1H3,(H,36,37)