3-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methylamino]azepan-2-one Openeye Name: 3-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3,5-dibromo-2-ethoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3,5-dibromo-2-ethoxy-benzyl)amino]azepan-2-one Formula: C15H20Br2N2O2 MolecularWeight: 420.1395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNC2CCCCNC2=O)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNC2CCCCNC2=O)Br)Br

InChI

InChI=1S/C15H20Br2N2O2/c1-2-21-14-10(7-11(16)8-12(14)17)9-19-13-5-3-4-6-18-15(13)20/h7-8,13,19H,2-6,9H2,1H3,(H,18,20)