methyl 2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate

Systemtic Name: methyl 2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate Openeye Name: methyl 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate CAS Name: 2-(4-methyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(4-methyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanoate Traditional Name: 2-(7-keto-4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butyric acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C(=O)C2=C(C=NN2C3=CC=CC=C3)C(=N1)C

Isomeric SMILES

CCC(C(=O)OC)N1C(=O)C2=C(C=NN2C3=CC=CC=C3)C(=N1)C

InChI

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