2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone dihydrochloride Formula: C24H27Cl2N5O2 MolecularWeight: 488.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=NC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=NC=CC=N5.Cl.Cl

InChI

InChI=1S/C24H25N5O2.2ClH/c30-22-19-8-3-6-18-7-4-9-20(21(18)19)23(31)29(22)13-2-1-12-27-14-16-28(17-15-27)24-25-10-5-11-26-24;;/h3-11H,1-2,12-17H2;2*1H