3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-hydroxy-3,5-dimethoxy-benzyl)amino]azepan-2-one Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-20-12-7-10(8-13(21-2)14(12)18)9-17-11-5-3-4-6-16-15(11)19/h7-8,11,17-18H,3-6,9H2,1-2H3,(H,16,19)