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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-6-(1H-pyrazol-4-yl)quinazoline; 2,2,2-trifluoroacetic acid Formula: C28H25F9N6O7 MolecularWeight: 728.519729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)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

COC1=CC=C(C=C1)N2CCN(CC2)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/C22H22N6O.3C2HF3O2/c1-29-20-5-3-19(4-6-20)27-8-10-28(11-9-27)22-23-13-17-12-16(2-7-21(17)26-22)18-14-24-25-15-18;3*3-2(4,5)1(6)7/h2-7,12-15H,8-11H2,1H3,(H,24,25);3*(H,6,7)