1-(azepan-1-yl)-2-[4-bromanyl-2-(methylaminomethyl)phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-bromanyl-2-(methylaminomethyl)phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)Br)OCC(=O)N2CCCCCC2

Isomeric SMILES

CNCC1=C(C=CC(=C1)Br)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H23BrN2O2/c1-18-11-13-10-14(17)6-7-15(13)21-12-16(20)19-8-4-2-3-5-9-19/h6-7,10,18H,2-5,8-9,11-12H2,1H3