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

Systemtic Name: 4-(4-piperazin-1-ylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]-1,2,4-triazol-3-one Openeye Name: 4-(4-piperazin-1-ylphenyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one CAS Name: 4-[4-(1-piperazinyl)phenyl]-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one IUPAC Name: 4-(4-piperazin-1-ylphenyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one Traditional Name: 4-(4-piperazinophenyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one Formula: C14H16F3N5O MolecularWeight: 327.30495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N5O/c15-14(16,17)9-22-13(23)21(10-19-22)12-3-1-11(2-4-12)20-7-5-18-6-8-20/h1-4,10,18H,5-9H2