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

Systemtic Name: 5-nitro-8-(4-pyridin-4-ylpiperazin-1-yl)quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-nitro-8-[4-(4-pyridyl)piperazin-1-yl]quinoline; 2,2,2-trifluoroacetic acid CAS Name: 5-nitro-8-(4-pyridin-4-yl-1-piperazinyl)quinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 5-nitro-8-(4-pyridin-4-ylpiperazin-1-yl)quinoline; 2,2,2-trifluoroacetic acid Traditional Name: 5-nitro-8-[4-(4-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=CC=NC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

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