3-[(5-bromanyl-2-fluoranyl-phenyl)amino]azepan-2-one

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)amino]azepan-2-one Openeye Name: 3-(5-bromo-2-fluoro-anilino)azepan-2-one CAS Name: 3-(5-bromo-2-fluoroanilino)-2-azepanone IUPAC Name: 3-(5-bromo-2-fluoroanilino)azepan-2-one Traditional Name: 3-(5-bromo-2-fluoro-anilino)azepan-2-one Formula: C12H14BrFN2O MolecularWeight: 301.154763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C12H14BrFN2O/c13-8-4-5-9(14)11(7-8)16-10-3-1-2-6-15-12(10)17/h4-5,7,10,16H,1-3,6H2,(H,15,17)