3-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3/c30-24-21-14-8-7-13-20(21)23(25(31)32)27-29(24)16-18-15-28(19-11-5-2-6-12-19)26-22(18)17-9-3-1-4-10-17/h1-15H,16H2,(H,31,32)