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

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2CCCCNC2=O

InChI

InChI=1S/C15H22N2O2/c1-10-7-12(8-11(2)14(10)18)9-17-13-5-3-4-6-16-15(13)19/h7-8,13,17-18H,3-6,9H2,1-2H3,(H,16,19)