2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-isoindol-1-one

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-isoindol-1-one Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]isoindolin-1-one CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3H-isoindol-1-one Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]isoindolin-1-one Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2CC3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2CC3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C17H19N5O/c23-16-15-5-2-1-4-14(15)12-22(16)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h1-7H,8-13H2