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

Systemtic Name: 4-azanyl-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-amino-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-amino-3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-amino-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-amino-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O3/c19-15-4-3-14(13-16(15)25(27)28)17(26)20-7-2-8-23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1,3-6,13H,2,7-12,19H2,(H,20,26)