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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-bromo-2-fluorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-bromo-2-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=C(C=C(C=C2)Br)F

Isomeric SMILES

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

InChI

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