4-[5-(4-bromophenyl)-3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CC3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CC3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O4/c1-14-3-2-4-16-11-17(24(32)26-23(14)16)12-19-13-20(15-5-7-18(25)8-6-15)27-28(19)21(29)9-10-22(30)31/h2-8,11,19H,9-10,12-13H2,1H3,(H,26,32)(H,30,31)