3-[2-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C24H27N5O4/c1-2-17-7-3-6-10-20(17)25-21(30)15-27-11-13-28(14-12-27)22(31)16-29-24(33)19-9-5-4-8-18(19)23(32)26-29/h3-10H,2,11-16H2,1H3,(H,25,30)(H,26,32)