3-(2-azanyl-6-bromanyl-4-chloranyl-phenoxy)azepan-2-one

Systemtic Name: 3-(2-azanyl-6-bromanyl-4-chloranyl-phenoxy)azepan-2-one Openeye Name: 3-(2-amino-6-bromo-4-chloro-phenoxy)azepan-2-one CAS Name: 3-(2-amino-6-bromo-4-chlorophenoxy)-2-azepanone IUPAC Name: 3-(2-amino-6-bromo-4-chlorophenoxy)azepan-2-one Traditional Name: 3-(2-amino-6-bromo-4-chloro-phenoxy)azepan-2-one Formula: C12H14BrClN2O2 MolecularWeight: 333.60876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2N)Cl)Br

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2N)Cl)Br

InChI

InChI=1S/C12H14BrClN2O2/c13-8-5-7(14)6-9(15)11(8)18-10-3-1-2-4-16-12(10)17/h5-6,10H,1-4,15H2,(H,16,17)