3,5-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 3,5-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 3,5-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 3,5-dinitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 3,5-dinitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 3,5-dinitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C18H21N7O5 MolecularWeight: 415.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H21N7O5/c26-17(14-11-15(24(27)28)13-16(12-14)25(29)30)19-5-2-6-22-7-9-23(10-8-22)18-20-3-1-4-21-18/h1,3-4,11-13H,2,5-10H2,(H,19,26)