3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3-bromo-4-fluorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3-bromo-4-fluorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(3-bromo-4-fluoro-benzyl)amino]azepan-2-one Formula: C13H16BrFN2O MolecularWeight: 315.181343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O/c14-10-7-9(4-5-11(10)15)8-17-12-3-1-2-6-16-13(12)18/h4-5,7,12,17H,1-3,6,8H2,(H,16,18)