3-[(3-bromophenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-bromophenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-bromophenyl)methylamino]azepan-2-one CAS Name: 3-[(3-bromophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-bromophenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-bromobenzyl)amino]azepan-2-one Formula: C13H17BrN2O MolecularWeight: 297.19088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN2O/c14-11-5-3-4-10(8-11)9-16-12-6-1-2-7-15-13(12)17/h3-5,8,12,16H,1-2,6-7,9H2,(H,15,17)