3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzamide

Systemtic Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzamide Openeye Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzamide CAS Name: 3-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzamide IUPAC Name: 3-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzamide Traditional Name: 3-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxybenzamide Formula: C21H19FN6O4 MolecularWeight: 438.411763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=CC(=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=CC(=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN6O4/c22-16-6-1-2-7-17(16)26-8-10-27(11-9-26)20-18(28(30)31)21(25-13-24-20)32-15-5-3-4-14(12-15)19(23)29/h1-7,12-13H,8-11H2,(H2,23,29)