3-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]azepan-2-one

Systemtic Name: 3-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]azepan-2-one Openeye Name: 3-[2-chloro-6-(trifluoromethyl)anilino]azepan-2-one CAS Name: 3-[2-chloro-6-(trifluoromethyl)anilino]-2-azepanone IUPAC Name: 3-[2-chloro-6-(trifluoromethyl)anilino]azepan-2-one Traditional Name: 3-[2-chloro-6-(trifluoromethyl)anilino]azepan-2-one Formula: C13H14ClF3N2O MolecularWeight: 306.71127

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=C(C=CC=C2Cl)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=C(C=CC=C2Cl)C(F)(F)F

InChI

InChI=1S/C13H14ClF3N2O/c14-9-5-3-4-8(13(15,16)17)11(9)19-10-6-1-2-7-18-12(10)20/h3-5,10,19H,1-2,6-7H2,(H,18,20)