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

Systemtic Name: 2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoic acid Openeye Name: 2-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoic acid CAS Name: 2-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)butanoic acid IUPAC Name: 2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoic acid Traditional Name: 2-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butyric acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-4-15(18(23)24)20-11(2)14-10-19-21(13-8-6-5-7-9-13)17(22)16(14)12(20)3/h5-10,15H,4H2,1-3H3,(H,23,24)