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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2H-isoquinolin-1-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2H-isoquinolin-1-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-2H-isoquinolin-1-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2H-isoquinolin-1-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]isocarbostyril Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C17H20N2O3/c20-16(19-10-3-1-2-4-11-19)12-22-15-7-5-6-14-13(15)8-9-18-17(14)21/h5-9H,1-4,10-12H2,(H,18,21)