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

Systemtic Name: 3-[4-(aminomethyl)-2,6-dimethyl-phenoxy]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-2,6-dimethyl-phenoxy]azepan-2-one CAS Name: 3-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-2,6-dimethylphenoxy]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-2,6-dimethyl-phenoxy]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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