3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(5-chloro-2-hydroxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)amino]azepan-2-one Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2/c14-10-4-5-12(17)9(7-10)8-16-11-3-1-2-6-15-13(11)18/h4-5,7,11,16-17H,1-3,6,8H2,(H,15,18)