3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(homoveratrylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)OC

InChI

InChI=1S/C21H22N4O5/c1-29-16-8-7-13(11-17(16)30-2)9-10-23-18(26)12-25-21(28)15-6-4-3-5-14(15)19(24-25)20(22)27/h3-8,11H,9-10,12H2,1-2H3,(H2,22,27)(H,23,26)