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

Systemtic Name: 5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-nitro-8-[4-(2-pyridyl)piperazin-1-yl]quinoline; 2,2,2-trifluoroacetic acid CAS Name: 5-nitro-8-[4-(2-pyridinyl)-1-piperazinyl]quinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline; 2,2,2-trifluoroacetic acid Traditional Name: 5-nitro-8-[4-(2-pyridyl)piperazino]quinoline; 2,2,2-trifluoroacetic acid Formula: C22H19F6N5O6 MolecularWeight: 563.406579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2.2C2HF3O2/c24-23(25)15-6-7-16(18-14(15)4-3-9-20-18)21-10-12-22(13-11-21)17-5-1-2-8-19-17;2*3-2(4,5)1(6)7/h1-9H,10-13H2;2*(H,6,7)