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

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

Systemtic Name:2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]-4H-isoquinoline-1,3-dione
Openeye Name:2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]-4H-isoquinoline-1,3-dione
CAS Name:2-[3-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]propyl]-4H-isoquinoline-1,3-dione
IUPAC Name:2-[3-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]propyl]-4H-isoquinoline-1,3-dione
Traditional Name:2-[3-[4-(5-phenylpyrimidin-2-yl)piperazino]propyl]-4H-isoquinoline-1,3-quinone
Formula: C26H27N5O2
MolecularWeight: 441.52488
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)CC3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5


Isomeric SMILES

C1CN(CCN1CCCN2C(=O)CC3=CC=CC=C3C2=O)C4=NC=C(C=N4)C5=CC=CC=C5


InChI

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


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