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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-methyl-isoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-methyl-isoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2-methyl-1-isoquinolinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-methylisoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-2-methyl-isocarbostyril Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O3/c1-19-12-9-14-15(18(19)22)7-6-8-16(14)23-13-17(21)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11,13H2,1H3