3-[1-(5-methyl-2-oxidanyl-phenyl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(5-methyl-2-oxidanyl-phenyl)ethylamino]azepan-2-one Openeye Name: 3-[1-(2-hydroxy-5-methyl-phenyl)ethylamino]azepan-2-one CAS Name: 3-[1-(2-hydroxy-5-methylphenyl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(2-hydroxy-5-methylphenyl)ethylamino]azepan-2-one Traditional Name: 3-[1-(2-hydroxy-5-methyl-phenyl)ethylamino]azepan-2-one Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)NC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)NC2CCCCNC2=O

InChI

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