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

Systemtic Name: 3-[(3-methoxy-2-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(2-hydroxy-3-methoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2-hydroxy-3-methoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(2-hydroxy-3-methoxy-benzyl)amino]azepan-2-one Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CNC2CCCCNC2=O

Isomeric SMILES

COC1=CC=CC(=C1O)CNC2CCCCNC2=O

InChI

InChI=1S/C14H20N2O3/c1-19-12-7-4-5-10(13(12)17)9-16-11-6-2-3-8-15-14(11)18/h4-5,7,11,16-17H,2-3,6,8-9H2,1H3,(H,15,18)