3-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]azepan-2-one

Systemtic Name: 3-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]azepan-2-one Openeye Name: 3-[4-chloro-3-(trifluoromethyl)anilino]azepan-2-one CAS Name: 3-[4-chloro-3-(trifluoromethyl)anilino]-2-azepanone IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)anilino]azepan-2-one Traditional Name: 3-[4-chloro-3-(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=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClF3N2O/c14-10-5-4-8(7-9(10)13(15,16)17)19-11-3-1-2-6-18-12(11)20/h4-5,7,11,19H,1-3,6H2,(H,18,20)