3-[[4-bromanyl-2,6-bis(chloranyl)phenyl]amino]azepan-2-one

Systemtic Name: 3-[[4-bromanyl-2,6-bis(chloranyl)phenyl]amino]azepan-2-one Openeye Name: 3-(4-bromo-2,6-dichloro-anilino)azepan-2-one CAS Name: 3-(4-bromo-2,6-dichloroanilino)-2-azepanone IUPAC Name: 3-(4-bromo-2,6-dichloroanilino)azepan-2-one Traditional Name: 3-(4-bromo-2,6-dichloro-anilino)azepan-2-one Formula: C12H13BrCl2N2O MolecularWeight: 352.05442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2Cl)Br)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2Cl)Br)Cl

InChI

InChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)11(9(15)6-7)17-10-3-1-2-4-16-12(10)18/h5-6,10,17H,1-4H2,(H,16,18)