2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-(1-azepanyl)-1-oxopropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]isoindolin-1-one Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H22N2O2/c1-13(16(20)18-10-6-2-3-7-11-18)19-12-14-8-4-5-9-15(14)17(19)21/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3