2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)butanoic acid

Systemtic Name: 2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)butanoic acid Openeye Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)butanoic acid CAS Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-5-pyrazolo[3,4-d]pyridazinyl)butanoic acid IUPAC Name: 2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)butanoic acid Traditional Name: 2-(4-keto-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)butyric acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)O)N1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4O3/c1-4-13(17(23)24)21-16(22)14-11(3)20(12-8-6-5-7-9-12)19-15(14)10(2)18-21/h5-9,13H,4H2,1-3H3,(H,23,24)