5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-ethyl-3,4-dihydroisocarbostyril Formula: C19H26N2O3 MolecularWeight: 330.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

CCN1CCC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N2O3/c1-2-20-13-10-15-16(19(20)23)8-7-9-17(15)24-14-18(22)21-11-5-3-4-6-12-21/h7-9H,2-6,10-14H2,1H3