3-(2-azanyl-3-methyl-phenoxy)azepan-2-one

Systemtic Name: 3-(2-azanyl-3-methyl-phenoxy)azepan-2-one Openeye Name: 3-(2-amino-3-methyl-phenoxy)azepan-2-one CAS Name: 3-(2-amino-3-methylphenoxy)-2-azepanone IUPAC Name: 3-(2-amino-3-methylphenoxy)azepan-2-one Traditional Name: 3-(2-amino-3-methyl-phenoxy)azepan-2-one Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCCCNC2=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)OC2CCCCNC2=O)N

InChI

InChI=1S/C13H18N2O2/c1-9-5-4-7-10(12(9)14)17-11-6-2-3-8-15-13(11)16/h4-5,7,11H,2-3,6,8,14H2,1H3,(H,15,16)