3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide CAS Name: 3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-nitro-4-[4-(2-pyrimidyl)piperazino]benzamide Formula: C15H16N6O3 MolecularWeight: 328.32594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C15H16N6O3/c16-14(22)11-2-3-12(13(10-11)21(23)24)19-6-8-20(9-7-19)15-17-4-1-5-18-15/h1-5,10H,6-9H2,(H2,16,22)