N-[2-(3-methylphenyl)ethyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-[2-(3-methylphenyl)ethyl]-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-[2-(m-tolyl)ethyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-[2-(3-methylphenyl)ethyl]-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-[2-(3-methylphenyl)ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-[2-(m-tolyl)ethyl]propionamide Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25N3O3/c1-17-5-4-6-18(15-17)9-12-24-21(27)10-13-25-22(28)16-26-14-11-19-7-2-3-8-20(19)23(26)29/h2-8,11,14-15H,9-10,12-13,16H2,1H3,(H,24,27)(H,25,28)