4-[3-(4-bromophenyl)-5-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-bromophenyl)-5-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxy-3-quinolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxy-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxy-3-quinolyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C24H21BrClN3O4 MolecularWeight: 530.79824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3=NN(C(C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3=NN(C(C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C24H21BrClN3O4/c1-2-33-17-8-5-15-11-18(24(26)27-19(15)12-17)20-13-21(14-3-6-16(25)7-4-14)29(28-20)22(30)9-10-23(31)32/h3-8,11-12,21H,2,9-10,13H2,1H3,(H,31,32)