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

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]azepan-2-one Openeye Name: 3-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(3,5-dichloro-2-hydroxy-benzyl)amino]azepan-2-one Formula: C13H16Cl2N2O2 MolecularWeight: 303.18434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C13H16Cl2N2O2/c14-9-5-8(12(18)10(15)6-9)7-17-11-3-1-2-4-16-13(11)19/h5-6,11,17-18H,1-4,7H2,(H,16,19)