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

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C30H26BrN3O4 MolecularWeight: 572.44914

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

InChI

InChI=1S/C30H26BrN3O4/c1-18-29(30(20-6-4-3-5-7-20)23-16-21(31)10-13-24(23)32-18)25-17-26(19-8-11-22(38-2)12-9-19)34(33-25)27(35)14-15-28(36)37/h3-13,16,26H,14-15,17H2,1-2H3,(H,36,37)