4-oxidanylidene-3-[3-oxidanylidene-3-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]propyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[3-oxo-3-[3-[2-(2-pyridyl)ethynyl]anilino]propyl]phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[3-[2-(2-pyridinyl)ethynyl]anilino]propyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[3-oxo-3-[3-(2-pyridin-2-ylethynyl)anilino]propyl]phthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[3-[2-(2-pyridyl)ethynyl]anilino]propyl]phthalazin-1-olate Formula: C24H17N4O3- MolecularWeight: 409.41678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)[O-]

InChI

InChI=1S/C24H18N4O3/c29-22(13-15-28-24(31)21-10-2-1-9-20(21)23(30)27-28)26-19-8-5-6-17(16-19)11-12-18-7-3-4-14-25-18/h1-10,14,16H,13,15H2,(H,26,29)(H,27,30)/p-1