3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]azepan-2-one Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)CNC

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)CNC

InChI

InChI=1S/C16H24N2O2/c1-11-8-13(10-17-3)9-12(2)15(11)20-14-6-4-5-7-18-16(14)19/h8-9,14,17H,4-7,10H2,1-3H3,(H,18,19)