4-[3-(4-bromophenyl)-5-(2-chloranyl-7-methyl-quinolin-3-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-bromophenyl)-5-(2-chloranyl-7-methyl-quinolin-3-yl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-methyl-3-quinolyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-methyl-3-quinolinyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-bromophenyl)-5-(2-chloro-7-methylquinolin-3-yl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(2-chloro-7-methyl-3-quinolyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H19BrClN3O3 MolecularWeight: 500.77226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(N(N3)C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=CC(N(N3)C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C23H19BrClN3O3/c1-13-2-3-15-11-17(23(25)26-18(15)10-13)19-12-20(14-4-6-16(24)7-5-14)28(27-19)21(29)8-9-22(30)31/h2-7,10-12,20,27H,8-9H2,1H3,(H,30,31)