1-[2-(azepan-1-ylmethyl)phenyl]propan-1-one

Systemtic Name: 1-[2-(azepan-1-ylmethyl)phenyl]propan-1-one Openeye Name: 1-[2-(azepan-1-ylmethyl)phenyl]propan-1-one CAS Name: 1-[2-(1-azepanylmethyl)phenyl]-1-propanone IUPAC Name: 1-[2-(azepan-1-ylmethyl)phenyl]propan-1-one Traditional Name: 1-[2-(azepan-1-ylmethyl)phenyl]propan-1-one Formula: C16H23NO MolecularWeight: 245.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1CN2CCCCCC2

Isomeric SMILES

CCC(=O)C1=CC=CC=C1CN2CCCCCC2

InChI

InChI=1S/C16H23NO/c1-2-16(18)15-10-6-5-9-14(15)13-17-11-7-3-4-8-12-17/h5-6,9-10H,2-4,7-8,11-13H2,1H3