2-(phenylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(phenylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O3/c30-21(27-11-13-28(14-12-27)24-25-9-4-10-26-24)18-7-8-19-20(15-18)23(32)29(22(19)31)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2