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

Systemtic Name: ethyl 2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-4-15(18(24)25-5-2)22-17(23)16-14(12(3)20-22)11-19-21(16)13-9-7-6-8-10-13/h6-11,15H,4-5H2,1-3H3