4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]phthalazine-1-carboxylic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H19N5O4/c26-17(24-11-9-23(10-12-24)16-7-3-4-8-21-16)13-25-19(27)15-6-2-1-5-14(15)18(22-25)20(28)29/h1-8H,9-13H2,(H,28,29)