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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=NC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=NC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

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