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

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

Systemtic Name:5-azanyl-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
Openeye Name:5-amino-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione
CAS Name:5-amino-2-[4-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione
IUPAC Name:5-amino-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
Traditional Name:5-amino-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazino]butyl]isoindoline-1,3-quinone
Formula: C26H28N6O2
MolecularWeight: 456.53952
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)N)C4=NC=C(C=N4)C5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)N)C4=NC=C(C=N4)C5=CC=CC=C5


InChI

InChI=1S/C26H28N6O2/c27-21-8-9-22-23(16-21)25(34)32(24(22)33)11-5-4-10-30-12-14-31(15-13-30)26-28-17-20(18-29-26)19-6-2-1-3-7-19/h1-3,6-9,16-18H,4-5,10-15,27H2


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