[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl] ethaneperoxoate

Systemtic Name: [4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl] ethaneperoxoate Openeye Name: [4-[4-(5-cyano-2-pyridyl)piperazin-1-yl]phenyl] peroxyacetate CAS Name: ethaneperoxoic acid [4-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]phenyl] ester IUPAC Name: [4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phenyl] ethaneperoxoate Traditional Name: peracetic acid [4-[4-(5-cyano-2-pyridyl)piperazino]phenyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(=O)OOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4O3/c1-14(23)24-25-17-5-3-16(4-6-17)21-8-10-22(11-9-21)18-7-2-15(12-19)13-20-18/h2-7,13H,8-11H2,1H3