3-(4-methoxyphenyl)-N-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[2-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C24H28N5O5+ MolecularWeight: 466.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N5O5/c1-33-18-8-6-17(7-9-18)29-24(32)20-5-3-2-4-19(20)22(27-29)23(31)26-16-21(30)25-10-11-28-12-14-34-15-13-28/h2-9H,10-16H2,1H3,(H,25,30)(H,26,31)/p+1