2-[2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[phenyl(3-pyridyl)methyl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[phenyl(3-pyridinyl)methyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[phenyl(3-pyridyl)methyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C26H26N4O2 MolecularWeight: 426.51024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H26N4O2/c31-25-22-10-4-5-11-23(22)26(32)30(25)18-15-28-13-16-29(17-14-28)24(20-7-2-1-3-8-20)21-9-6-12-27-19-21/h1-12,19,24H,13-18H2