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

Systemtic Name: 3-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-formyl-1-piperazinyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-formylpiperazino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C16H16N4O5/c21-10-18-5-7-19(8-6-18)13(22)9-20-15(23)12-4-2-1-3-11(12)14(17-20)16(24)25/h1-4,10H,5-9H2,(H,24,25)