4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-2-one

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-2-one Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-2-one CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-piperazinone IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-2-one Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-2-one Formula: C12H13BrN2O3 MolecularWeight: 313.14722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C1CN(CC(=O)N1)CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C12H13BrN2O3/c13-9-4-11-10(17-7-18-11)3-8(9)5-15-2-1-14-12(16)6-15/h3-4H,1-2,5-7H2,(H,14,16)