N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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