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

Systemtic Name: 2-[2-[4-[(4-fluorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(4-fluorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(4-fluorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[(4-fluorophenyl)-(2-pyridyl)methyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C26H25FN4O2 MolecularWeight: 444.500703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=C(C=C4)F)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=C(C=C4)F)C5=CC=CC=N5

InChI

InChI=1S/C26H25FN4O2/c27-20-10-8-19(9-11-20)24(23-7-3-4-12-28-23)30-16-13-29(14-17-30)15-18-31-25(32)21-5-1-2-6-22(21)26(31)33/h1-12,24H,13-18H2