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

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

Systemtic Name:5-nitro-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
Openeye Name:5-nitro-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione
CAS Name:5-nitro-2-[4-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione
IUPAC Name:5-nitro-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
Traditional Name:5-nitro-2-[4-[4-(5-phenylpyrimidin-2-yl)piperazino]butyl]isoindoline-1,3-quinone
Formula: C26H26N6O4
MolecularWeight: 486.52244
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC=C(C=N4)C5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC=C(C=N4)C5=CC=CC=C5


InChI

InChI=1S/C26H26N6O4/c33-24-22-9-8-21(32(35)36)16-23(22)25(34)31(24)11-5-4-10-29-12-14-30(15-13-29)26-27-17-20(18-28-26)19-6-2-1-3-7-19/h1-3,6-9,16-18H,4-5,10-15H2


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