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

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C30H26BrN3O3 MolecularWeight: 556.44974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=C(N=C4C=CC(=CC4=C3C5=CC=CC=C5)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=C(N=C4C=CC(=CC4=C3C5=CC=CC=C5)Br)C

InChI

InChI=1S/C30H26BrN3O3/c1-18-8-10-20(11-9-18)26-17-25(33-34(26)27(35)14-15-28(36)37)29-19(2)32-24-13-12-22(31)16-23(24)30(29)21-6-4-3-5-7-21/h3-13,16,26H,14-15,17H2,1-2H3,(H,36,37)