4-(4-piperazin-1-ylphenyl)-2-[2,2,2-tris(fluoranyl)-1-phenyl-ethyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(4-piperazin-1-ylphenyl)-2-[2,2,2-tris(fluoranyl)-1-phenyl-ethyl]-1,2,4-triazol-3-one Openeye Name: 4-(4-piperazin-1-ylphenyl)-2-(2,2,2-trifluoro-1-phenyl-ethyl)-1,2,4-triazol-3-one CAS Name: 4-[4-(1-piperazinyl)phenyl]-2-(2,2,2-trifluoro-1-phenylethyl)-1,2,4-triazol-3-one IUPAC Name: 4-(4-piperazin-1-ylphenyl)-2-(2,2,2-trifluoro-1-phenylethyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-piperazinophenyl)-2-(2,2,2-trifluoro-1-phenyl-ethyl)-1,2,4-triazol-3-one Formula: C20H20F3N5O MolecularWeight: 403.40091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)N3C=NN(C3=O)C(C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)N3C=NN(C3=O)C(C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c21-20(22,23)18(15-4-2-1-3-5-15)28-19(29)27(14-25-28)17-8-6-16(7-9-17)26-12-10-24-11-13-26/h1-9,14,18,24H,10-13H2