2-piperazin-1-yl-5-(2-quinolin-3-ylpyridin-4-yl)-1H-pyrrole-3-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-piperazin-1-yl-5-(2-quinolin-3-ylpyridin-4-yl)-1H-pyrrole-3-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-piperazin-1-yl-5-[2-(3-quinolyl)-4-pyridyl]-1H-pyrrole-3-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 2-(1-piperazinyl)-5-[2-(3-quinolinyl)-4-pyridinyl]-1H-pyrrole-3-carbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 2-piperazin-1-yl-5-(2-quinolin-3-ylpyridin-4-yl)-1H-pyrrole-3-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 2-piperazino-5-[2-(3-quinolyl)-4-pyridyl]-1H-pyrrole-3-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C25H21F3N6O2 MolecularWeight: 494.46845

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(N2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H20N6.C2HF3O2/c24-14-18-13-22(28-23(18)29-9-7-25-8-10-29)17-5-6-26-21(12-17)19-11-16-3-1-2-4-20(16)27-15-19;3-2(4,5)1(6)7/h1-6,11-13,15,25,28H,7-10H2;(H,6,7)