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

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,6-dichlorophenyl)methylamino]azepan-2-one CAS Name: 3-[(2,6-dichlorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,6-dichlorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,6-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=C2Cl)Cl

Isomeric SMILES

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

InChI

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