5-[[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]methyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-1,2,4-triazol-3-olate Formula: C21H20FN6O2- MolecularWeight: 407.420903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=C(C=C(C=C2)OC)F)C3=CC=CC=C3)CC4=NC(=NN4)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=C(C=C(C=C2)OC)F)C3=CC=CC=C3)CC4=NC(=NN4)[O-]

InChI

InChI=1S/C21H21FN6O2/c1-27(13-19-23-21(29)25-24-19)11-14-12-28(15-6-4-3-5-7-15)26-20(14)17-9-8-16(30-2)10-18(17)22/h3-10,12H,11,13H2,1-2H3,(H2,23,24,25,29)/p-1