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

Systemtic Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazino]butyl]isoindoline-1,3-quinone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c32-24-22-10-4-5-11-23(22)25(33)31(24)13-7-6-12-29-14-16-30(17-15-29)26-27-18-21(19-28-26)20-8-2-1-3-9-20/h1-5,8-11,18-19H,6-7,12-17H2