5-bromanyl-1-(phenylmethyl)azepan-4-one hydrobromide

Systemtic Name: 5-bromanyl-1-(phenylmethyl)azepan-4-one hydrobromide Openeye Name: 1-benzyl-5-bromo-azepan-4-one hydrobromide CAS Name: 5-bromo-1-(phenylmethyl)-4-azepanone hydrobromide IUPAC Name: 1-benzyl-5-bromoazepan-4-one hydrobromide Traditional Name: 1-benzyl-5-bromo-azepan-4-one hydrobromide Formula: C13H17Br2NO MolecularWeight: 363.08818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=O)C1Br)CC2=CC=CC=C2.Br

Isomeric SMILES

C1CN(CCC(=O)C1Br)CC2=CC=CC=C2.Br

InChI

InChI=1S/C13H16BrNO.BrH/c14-12-6-8-15(9-7-13(12)16)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2;1H