5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline; 2,2,2-trifluoroacetic acid CAS Name: 5-nitro-8-[4-(2-pyrimidinyl)-1-piperazinyl]quinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline; 2,2,2-trifluoroacetic acid Traditional Name: 5-nitro-8-[4-(2-pyrimidyl)piperazino]quinoline; 2,2,2-trifluoroacetic acid Formula: C19H17F3N6O4 MolecularWeight: 450.37129

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=NC=CC=N4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=NC=CC=N4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H16N6O2.C2HF3O2/c24-23(25)14-4-5-15(16-13(14)3-1-6-18-16)21-9-11-22(12-10-21)17-19-7-2-8-20-17;3-2(4,5)1(6)7/h1-8H,9-12H2;(H,6,7)