2-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 2-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 2-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 2-(1-azepanyl)-1-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 2-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 2-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)ethanone Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19NO3/c17-13(10-16-7-3-1-2-4-8-16)12-5-6-14-15(9-12)19-11-18-14/h5-6,9H,1-4,7-8,10-11H2