2-[3-(2-methoxyphenyl)piperazin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[3-(2-methoxyphenyl)piperazin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[3-(2-methoxyphenyl)piperazin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-trifluoroacetic acid CAS Name: 2-[3-(2-methoxyphenyl)-1-piperazinyl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[3-(2-methoxyphenyl)piperazin-1-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-trifluoroacetic acid Traditional Name: 2-[3-(2-methoxyphenyl)piperazino]-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinoline; 2,2,2-trifluoroacetic acid Formula: C30H25F12N5O7 MolecularWeight: 795.529638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CN(CCN2)C3=NC4=C(C=C3)C=C(C=C4)C5=C(NN=C5)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC=CC=C1C2CN(CCN2)C3=NC4=C(C=C3)C=C(C=C4)C5=C(NN=C5)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H22F3N5O.3C2HF3O2/c1-33-21-5-3-2-4-17(21)20-14-32(11-10-28-20)22-9-7-16-12-15(6-8-19(16)30-22)18-13-29-31-23(18)24(25,26)27;3*3-2(4,5)1(6)7/h2-9,12-13,20,28H,10-11,14H2,1H3,(H,29,31);3*(H,6,7)