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

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C29H24BrN3O3 MolecularWeight: 542.42316

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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=C5)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=C5)C(=O)CCC(=O)O

InChI

InChI=1S/C29H24BrN3O3/c1-18-28(29(20-10-6-3-7-11-20)22-16-21(30)12-13-23(22)31-18)24-17-25(19-8-4-2-5-9-19)33(32-24)26(34)14-15-27(35)36/h2-13,16,25H,14-15,17H2,1H3,(H,35,36)