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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C)C3=NN(C(C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C)C3=NN(C(C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)O)C5=CC=CC=C5

InChI

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