4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c25-17(15-3-5-16(6-4-15)24(26)27)19-9-2-10-22-11-13-23(14-12-22)18-20-7-1-8-21-18/h1,3-8H,2,9-14H2,(H,19,25)