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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(4-phenylpiperazino)ethyl]phthalazine-1-carboxylic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H20N4O4/c26-18(24-12-10-23(11-13-24)15-6-2-1-3-7-15)14-25-20(27)17-9-5-4-8-16(17)19(22-25)21(28)29/h1-9H,10-14H2,(H,28,29)