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

Systemtic Name: 5-nitro-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[4-[4-(2-pyrimidyl)piperazino]butyl]isoindoline-1,3-quinone Formula: C20H22N6O4 MolecularWeight: 410.42648

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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=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c27-18-16-5-4-15(26(29)30)14-17(16)19(28)25(18)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,14H,1-2,8-13H2