4-(3-fluoranyl-4-piperazin-1-yl-phenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-(3-fluoranyl-4-piperazin-1-yl-phenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 4-(3-fluoro-4-piperazin-1-yl-phenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 4-[3-fluoro-4-(1-piperazinyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 4-(3-fluoro-4-piperazin-1-ylphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 4-(3-fluoro-4-piperazino-phenyl)-2-[4-(trifluoromethyl)benzyl]-1,2,4-triazol-3-one Formula: C20H19F4N5O MolecularWeight: 421.391373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)N3C=NN(C3=O)CC4=CC=C(C=C4)C(F)(F)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)N3C=NN(C3=O)CC4=CC=C(C=C4)C(F)(F)F)F

InChI

InChI=1S/C20H19F4N5O/c21-17-11-16(5-6-18(17)27-9-7-25-8-10-27)28-13-26-29(19(28)30)12-14-1-3-15(4-2-14)20(22,23)24/h1-6,11,13,25H,7-10,12H2