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

Systemtic Name: 3-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C23H25N5O4/c1-16-6-8-17(9-7-16)24-20(29)14-26-10-12-27(13-11-26)21(30)15-28-23(32)19-5-3-2-4-18(19)22(31)25-28/h2-9H,10-15H2,1H3,(H,24,29)(H,25,31)