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

Systemtic Name: 3-[[2,3-bis(chloranyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,3-dichlorophenyl)methylamino]azepan-2-one CAS Name: 3-[(2,3-dichlorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,3-dichlorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,3-dichlorobenzyl)amino]azepan-2-one Formula: C13H16Cl2N2O MolecularWeight: 287.18494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O/c14-10-5-3-4-9(12(10)15)8-17-11-6-1-2-7-16-13(11)18/h3-5,11,17H,1-2,6-8H2,(H,16,18)