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

Systemtic Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C28H23BrN4O3 MolecularWeight: 543.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O3/c29-21-13-11-19(12-14-21)24-17-25(33(30-24)26(34)15-16-27(35)36)23-18-32(22-9-5-2-6-10-22)31-28(23)20-7-3-1-4-8-20/h1-14,18,25H,15-17H2,(H,35,36)