N-[(3-methoxyphenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-m-anisyl-propionamide Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-29-18-7-4-5-16(13-18)14-24-20(26)9-11-23-21(27)15-25-12-10-17-6-2-3-8-19(17)22(25)28/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,23,27)(H,24,26)