3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]azepan-2-one

Systemtic Name: 3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]azepan-2-one Openeye Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]azepan-2-one Formula: C14H20N2O3 MolecularWeight: 264.3202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)O)O)NC2CCCCNC2=O

Isomeric SMILES

CC(C1=C(C=CC(=C1)O)O)NC2CCCCNC2=O

InChI

InChI=1S/C14H20N2O3/c1-9(11-8-10(17)5-6-13(11)18)16-12-4-2-3-7-15-14(12)19/h5-6,8-9,12,16-18H,2-4,7H2,1H3,(H,15,19)