N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-homoveratryl-2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]acetamide Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C23H25N3O5/c1-30-19-8-7-16(13-20(19)31-2)9-11-24-21(27)14-25-22(28)15-26-12-10-17-5-3-4-6-18(17)23(26)29/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,24,27)(H,25,28)