N-[3-(azepan-1-yl)propyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3-methyl-1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3-methyl-1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(1-keto-3-methyl-2-isoquinolyl)acetamide Formula: C21H29N3O2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C21H29N3O2/c1-17-15-18-9-4-5-10-19(18)21(26)24(17)16-20(25)22-11-8-14-23-12-6-2-3-7-13-23/h4-5,9-10,15H,2-3,6-8,11-14,16H2,1H3,(H,22,25)