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

Systemtic Name: 3-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-(2-morpholin-4-yl-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-morpholino-ethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-olate Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H25N5O5/c26-17(24-9-11-30-12-10-24)13-22-5-7-23(8-6-22)18(27)14-25-20(29)16-4-2-1-3-15(16)19(28)21-25/h1-4H,5-14H2,(H,21,28)