1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C20H17FN8O2 MolecularWeight: 420.399783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H17FN8O2/c21-14-5-7-15(8-6-14)26-9-11-27(12-10-26)19-18(29(30)31)20(23-13-22-19)28-17-4-2-1-3-16(17)24-25-28/h1-8,13H,9-12H2