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

Systemtic Name: 3-[(4-methoxy-3-methyl-phenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-methoxy-3-methyl-phenyl)methylamino]azepan-2-one CAS Name: 3-[(4-methoxy-3-methylphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(4-methoxy-3-methylphenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-methoxy-3-methyl-benzyl)amino]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2CCCCNC2=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2CCCCNC2=O)OC

InChI

InChI=1S/C15H22N2O2/c1-11-9-12(6-7-14(11)19-2)10-17-13-5-3-4-8-16-15(13)18/h6-7,9,13,17H,3-5,8,10H2,1-2H3,(H,16,18)