2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid Formula: C27H22F10N6O6 MolecularWeight: 716.484212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H19FN6.3C2HF3O2/c22-18-3-1-2-4-20(18)27-7-9-28(10-8-27)21-23-12-16-11-15(5-6-19(16)26-21)17-13-24-25-14-17;3*3-2(4,5)1(6)7/h1-6,11-14H,7-10H2,(H,24,25);3*(H,6,7)