4-[5-(4-bromophenyl)-3-(3-methyl-1-phenyl-pyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-(3-methyl-1-phenyl-pyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(3-methyl-1-phenyl-pyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(3-methyl-1-phenyl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(3-methyl-1-phenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(3-methyl-1-phenyl-pyrazol-4-yl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN4O3/c1-15-19(14-27(25-15)18-5-3-2-4-6-18)21-13-20(16-7-9-17(24)10-8-16)26-28(21)22(29)11-12-23(30)31/h2-10,14,21H,11-13H2,1H3,(H,30,31)