1-(azepan-1-yl)-2-[2,4-bis(bromanyl)-6-ethanoyl-phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2,4-bis(bromanyl)-6-ethanoyl-phenoxy]ethanone Openeye Name: 2-(2-acetyl-4,6-dibromo-phenoxy)-1-(azepan-1-yl)ethanone CAS Name: 2-(2-acetyl-4,6-dibromophenoxy)-1-(1-azepanyl)ethanone IUPAC Name: 2-(2-acetyl-4,6-dibromophenoxy)-1-(azepan-1-yl)ethanone Traditional Name: 2-(2-acetyl-4,6-dibromo-phenoxy)-1-(azepan-1-yl)ethanone Formula: C16H19Br2NO3 MolecularWeight: 433.13496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1OCC(=O)N2CCCCCC2)Br)Br

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1OCC(=O)N2CCCCCC2)Br)Br

InChI

InChI=1S/C16H19Br2NO3/c1-11(20)13-8-12(17)9-14(18)16(13)22-10-15(21)19-6-4-2-3-5-7-19/h8-9H,2-7,10H2,1H3