3-[(4-bromanyl-3-methyl-phenyl)amino]azepan-2-one

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenyl)amino]azepan-2-one Openeye Name: 3-(4-bromo-3-methyl-anilino)azepan-2-one CAS Name: 3-(4-bromo-3-methylanilino)-2-azepanone IUPAC Name: 3-(4-bromo-3-methylanilino)azepan-2-one Traditional Name: 3-(4-bromo-3-methyl-anilino)azepan-2-one Formula: C13H17BrN2O MolecularWeight: 297.19088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O/c1-9-8-10(5-6-11(9)14)16-12-4-2-3-7-15-13(12)17/h5-6,8,12,16H,2-4,7H2,1H3,(H,15,17)