4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole

Systemtic Name: 4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole Openeye Name: 4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole CAS Name: 4-(1-phenyl-4-pyrazolyl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole IUPAC Name: 4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole Traditional Name: 4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-3-(2,3,4-trimethoxyphenyl)-1H-pyrazole Formula: C22H19F3N4O3 MolecularWeight: 444.40647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=NNC(=C2C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=NNC(=C2C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)OC)OC

InChI

InChI=1S/C22H19F3N4O3/c1-30-16-10-9-15(19(31-2)20(16)32-3)18-17(21(28-27-18)22(23,24)25)13-11-26-29(12-13)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,27,28)