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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H22N4O4/c27-19(25-12-10-24(11-13-25)14-16-6-2-1-3-7-16)15-26-21(28)18-9-5-4-8-17(18)20(23-26)22(29)30/h1-9H,10-15H2,(H,29,30)