2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3CC=CCC3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3CC=CCC3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C20H27N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5,8-9,16-17H,3-4,6-7,10-15H2