4-(2-methyl-7-oxidanylidene-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-6-yl)benzoic acid

Systemtic Name: 4-(2-methyl-7-oxidanylidene-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-6-yl)benzoic acid Openeye Name: 4-(2-methyl-7-oxo-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-6-yl)benzoic acid CAS Name: 4-(2-methyl-7-oxo-3,4-diphenyl-6-pyrazolo[3,4-d]pyridazinyl)benzoic acid IUPAC Name: 4-(2-methyl-7-oxo-3,4-diphenylpyrazolo[3,4-d]pyridazin-6-yl)benzoic acid Traditional Name: 4-(7-keto-2-methyl-3,4-diphenyl-pyrazolo[3,4-d]pyridazin-6-yl)benzoic acid Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NN(C(=O)C2=N1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=C2C(=NN(C(=O)C2=N1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O3/c1-28-23(17-10-6-3-7-11-17)20-21(16-8-4-2-5-9-16)27-29(24(30)22(20)26-28)19-14-12-18(13-15-19)25(31)32/h2-15H,1H3,(H,31,32)