1-(azepan-1-yl)-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]propan-1-one CAS Name: 1-(1-azepanyl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-2-methylol-phenoxy)propan-1-one Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)CO

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)CO

InChI

InChI=1S/C16H22BrNO3/c1-12(16(20)18-8-4-2-3-5-9-18)21-15-7-6-14(17)10-13(15)11-19/h6-7,10,12,19H,2-5,8-9,11H2,1H3