N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC(=C(C=C1NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC)OC

Isomeric SMILES

CC(=O)NCCC1=CC(=C(C=C1NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC)OC

InChI

InChI=1S/C21H22N4O5/c1-12(26)22-9-8-13-10-17(29-2)18(30-3)11-16(13)23-21(28)19-14-6-4-5-7-15(14)20(27)25-24-19/h4-7,10-11H,8-9H2,1-3H3,(H,22,26)(H,23,28)(H,25,27)