2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(5-phenylpyrimidin-2-yl)piperazino]propyl]isoindoline-1,3-quinone Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c31-23-21-9-4-5-10-22(21)24(32)30(23)12-6-11-28-13-15-29(16-14-28)25-26-17-20(18-27-25)19-7-2-1-3-8-19/h1-5,7-10,17-18H,6,11-16H2