2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(oxidanylidene)-N-pyridin-2-yl-isoindole-5-carboxamide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(oxidanylidene)-N-pyridin-2-yl-isoindole-5-carboxamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-N-(2-pyridyl)isoindoline-5-carboxamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-N-(2-pyridinyl)-5-isoindolecarboxamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide Traditional Name: 2-homoveratryl-1,3-diketo-N-(2-pyridyl)isoindoline-5-carboxamide Formula: C24H21N3O5 MolecularWeight: 431.44064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=N4)OC

InChI

InChI=1S/C24H21N3O5/c1-31-19-9-6-15(13-20(19)32-2)10-12-27-23(29)17-8-7-16(14-18(17)24(27)30)22(28)26-21-5-3-4-11-25-21/h3-9,11,13-14H,10,12H2,1-2H3,(H,25,26,28)