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

Systemtic Name: ethyl 4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate Openeye Name: ethyl 4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoate CAS Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanoate Traditional Name: 4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butyric acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c1-4-26-16(24)11-8-12-22-19(25)18-17(13(2)20-22)14(3)23(21-18)15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3