2-bromanyl-7-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one; ethanoic acid

Systemtic Name: 2-bromanyl-7-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one; ethanoic acid Openeye Name: acetic acid; 2-bromo-7-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one CAS Name: acetic acid; 2-bromo-7-(1-piperazinyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: acetic acid; 2-bromo-7-piperazin-1-ylcyclohepta-2,4,6-trien-1-one Traditional Name: acetic acid; 2-bromo-7-piperazino-cyclohepta-2,4,6-trien-1-one Formula: C13H17BrN2O3 MolecularWeight: 329.18968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CN(CCN1)C2=CC=CC=C(C2=O)Br

Isomeric SMILES

CC(=O)O.C1CN(CCN1)C2=CC=CC=C(C2=O)Br

InChI

InChI=1S/C11H13BrN2O.C2H4O2/c12-9-3-1-2-4-10(11(9)15)14-7-5-13-6-8-14;1-2(3)4/h1-4,13H,5-8H2;1H3,(H,3,4)