N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]acetamide Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O3/c25-19(22-12-10-16-6-2-1-3-7-16)14-23-20(26)15-24-13-11-17-8-4-5-9-18(17)21(24)27/h4-6,8-9,11,13H,1-3,7,10,12,14-15H2,(H,22,25)(H,23,26)