3-[1-[2,3,4-tris(chloranyl)phenyl]ethylamino]azepan-2-one

Systemtic Name: 3-[1-[2,3,4-tris(chloranyl)phenyl]ethylamino]azepan-2-one Openeye Name: 3-[1-(2,3,4-trichlorophenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2,3,4-trichlorophenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2,3,4-trichlorophenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2,3,4-trichlorophenyl)ethylamino]azepan-2-one Formula: C14H17Cl3N2O MolecularWeight: 335.65658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)Cl)Cl)Cl)NC2CCCCNC2=O

Isomeric SMILES

CC(C1=C(C(=C(C=C1)Cl)Cl)Cl)NC2CCCCNC2=O

InChI

InChI=1S/C14H17Cl3N2O/c1-8(9-5-6-10(15)13(17)12(9)16)19-11-4-2-3-7-18-14(11)20/h5-6,8,11,19H,2-4,7H2,1H3,(H,18,20)