ethyl 2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoate

Systemtic Name: ethyl 2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoate Openeye Name: ethyl 2-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoate CAS Name: 2-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoate Traditional Name: 2-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butyric acid ethyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=C2C=NN(C(=O)C2=C1C)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)OCC)N1C(=C2C=NN(C(=O)C2=C1C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N3O3/c1-5-17(20(25)26-6-2)22-13(3)16-12-21-23(15-10-8-7-9-11-15)19(24)18(16)14(22)4/h7-12,17H,5-6H2,1-4H3