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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-homoveratryl-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C26H25N3O5 MolecularWeight: 459.4938

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5/c1-32-19-11-9-18(10-12-19)29-26(31)21-7-5-4-6-20(21)24(28-29)25(30)27-15-14-17-8-13-22(33-2)23(16-17)34-3/h4-13,16H,14-15H2,1-3H3,(H,27,30)