3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-(vanillylamino)azepan-2-one Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2CCCCNC2=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2CCCCNC2=O)O

InChI

InChI=1S/C14H20N2O3/c1-19-13-8-10(5-6-12(13)17)9-16-11-4-2-3-7-15-14(11)18/h5-6,8,11,16-17H,2-4,7,9H2,1H3,(H,15,18)