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

Systemtic Name: 3-[[2,4,6-tris(bromanyl)phenyl]amino]azepan-2-one Openeye Name: 3-(2,4,6-tribromoanilino)azepan-2-one CAS Name: 3-(2,4,6-tribromoanilino)-2-azepanone IUPAC Name: 3-(2,4,6-tribromoanilino)azepan-2-one Traditional Name: 3-(2,4,6-tribromoanilino)azepan-2-one Formula: C12H13Br3N2O MolecularWeight: 440.95642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2Br)Br)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=C(C=C(C=C2Br)Br)Br

InChI

InChI=1S/C12H13Br3N2O/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)