2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-one

Systemtic Name: 2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-one Openeye Name: 2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-one CAS Name: 2-(1-azepanyl)-1-(4-ethylphenyl)-1-propanone IUPAC Name: 2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-(azepan-1-yl)-1-(4-ethylphenyl)propan-1-one Formula: C17H25NO MolecularWeight: 259.3865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)N2CCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)N2CCCCCC2

InChI

InChI=1S/C17H25NO/c1-3-15-8-10-16(11-9-15)17(19)14(2)18-12-6-4-5-7-13-18/h8-11,14H,3-7,12-13H2,1-2H3