3-[4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(1,3-diphenylpyrazol-4-yl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(1,3-diphenyl-4-pyrazolyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(1,3-diphenylpyrazol-4-yl)methylene]-5-keto-3-phenyl-2-pyrazolin-1-yl]propionic acid Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3/c33-25(34)16-17-31-28(35)24(27(30-31)21-12-6-2-7-13-21)18-22-19-32(23-14-8-3-9-15-23)29-26(22)20-10-4-1-5-11-20/h1-15,18-19H,16-17H2,(H,33,34)