5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-(2-ethoxyethyl)-1-isoquinolinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-(2-ethoxyethyl)isoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(2-ethoxyethyl)isocarbostyril Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-2-26-15-14-23-13-10-17-18(21(23)25)8-7-9-19(17)27-16-20(24)22-11-5-3-4-6-12-22/h7-10,13H,2-6,11-12,14-16H2,1H3