1-(azepan-1-yl)-2-(2-methylphenoxy)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(2-methylphenoxy)butan-1-one Openeye Name: 1-(azepan-1-yl)-2-(2-methylphenoxy)butan-1-one CAS Name: 1-(1-azepanyl)-2-(2-methylphenoxy)-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-(2-methylphenoxy)butan-1-one Traditional Name: 1-(azepan-1-yl)-2-(2-methylphenoxy)butan-1-one Formula: C17H25NO2 MolecularWeight: 275.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCCCC1)OC2=CC=CC=C2C

Isomeric SMILES

CCC(C(=O)N1CCCCCC1)OC2=CC=CC=C2C

InChI

InChI=1S/C17H25NO2/c1-3-15(20-16-11-7-6-10-14(16)2)17(19)18-12-8-4-5-9-13-18/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3