3-[[2,3,6-tris(chloranyl)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2,3,6-tris(chloranyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,3,6-trichlorophenyl)methylamino]azepan-2-one CAS Name: 3-[(2,3,6-trichlorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,3,6-trichlorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,3,6-trichlorobenzyl)amino]azepan-2-one Formula: C13H15Cl3N2O MolecularWeight: 321.63

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(C=CC(=C2Cl)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C(C=CC(=C2Cl)Cl)Cl

InChI

InChI=1S/C13H15Cl3N2O/c14-9-4-5-10(15)12(16)8(9)7-18-11-3-1-2-6-17-13(11)19/h4-5,11,18H,1-3,6-7H2,(H,17,19)