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

Systemtic Name: 2-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]isoindoline-1,3-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N5O3/c26-17(23-11-13-24(14-12-23)20-21-8-4-9-22-20)7-3-10-25-18(27)15-5-1-2-6-16(15)19(25)28/h1-2,4-6,8-9H,3,7,10-14H2