3-(2-bromanyl-4-methyl-phenoxy)azepan-2-one

Systemtic Name: 3-(2-bromanyl-4-methyl-phenoxy)azepan-2-one Openeye Name: 3-(2-bromo-4-methyl-phenoxy)azepan-2-one CAS Name: 3-(2-bromo-4-methylphenoxy)-2-azepanone IUPAC Name: 3-(2-bromo-4-methylphenoxy)azepan-2-one Traditional Name: 3-(2-bromo-4-methyl-phenoxy)azepan-2-one Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO2/c1-9-5-6-11(10(14)8-9)17-12-4-2-3-7-15-13(12)16/h5-6,8,12H,2-4,7H2,1H3,(H,15,16)