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

Systemtic Name: 3-[(3-chloranyl-2-fluoranyl-phenyl)amino]azepan-2-one Openeye Name: 3-(3-chloro-2-fluoro-anilino)azepan-2-one CAS Name: 3-(3-chloro-2-fluoroanilino)-2-azepanone IUPAC Name: 3-(3-chloro-2-fluoroanilino)azepan-2-one Traditional Name: 3-(3-chloro-2-fluoro-anilino)azepan-2-one Formula: C12H14ClFN2O MolecularWeight: 256.703763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClFN2O/c13-8-4-3-6-9(11(8)14)16-10-5-1-2-7-15-12(10)17/h3-4,6,10,16H,1-2,5,7H2,(H,15,17)