2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-pyrimidyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C19H21N5O2 MolecularWeight: 351.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O2/c25-17-15-5-1-2-6-16(15)18(26)24(17)10-4-9-22-11-13-23(14-12-22)19-20-7-3-8-21-19/h1-3,5-8H,4,9-14H2