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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]azepan-2-one Openeye Name: 3-(3-chloro-2-methyl-anilino)azepan-2-one CAS Name: 3-(3-chloro-2-methylanilino)-2-azepanone IUPAC Name: 3-(3-chloro-2-methylanilino)azepan-2-one Traditional Name: 3-(3-chloro-2-methyl-anilino)azepan-2-one Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2CCCCNC2=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2CCCCNC2=O

InChI

InChI=1S/C13H17ClN2O/c1-9-10(14)5-4-7-11(9)16-12-6-2-3-8-15-13(12)17/h4-5,7,12,16H,2-3,6,8H2,1H3,(H,15,17)