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

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(veratrylamino)ethyl]phthalazine-1-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-28-15-8-7-12(9-16(15)29-2)10-22-17(25)11-24-20(27)14-6-4-3-5-13(14)18(23-24)19(21)26/h3-9H,10-11H2,1-2H3,(H2,21,26)(H,22,25)