2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]isocarbostyril Formula: C17H20N2O2 MolecularWeight: 284.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O2/c20-16(18-10-5-1-2-6-11-18)13-19-12-9-14-7-3-4-8-15(14)17(19)21/h3-4,7-9,12H,1-2,5-6,10-11,13H2