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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(2,4-dimethoxyphenyl)-N-homoveratryl-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC4=CC(=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC4=CC(=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H27N3O6/c1-33-18-10-11-21(23(16-18)35-3)30-27(32)20-8-6-5-7-19(20)25(29-30)26(31)28-14-13-17-9-12-22(34-2)24(15-17)36-4/h5-12,15-16H,13-14H2,1-4H3,(H,28,31)