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

Systemtic Name: 4-[3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(1,3-diphenylpyrazol-4-yl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(1,3-diphenyl-4-pyrazolyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(1,3-diphenylpyrazol-4-yl)-3-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O4/c31-24(13-14-25(32)33)30-22(16-21(27-30)23-12-7-15-34-23)20-17-29(19-10-5-2-6-11-19)28-26(20)18-8-3-1-4-9-18/h1-12,15,17,22H,13-14,16H2,(H,32,33)