[2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-fluoranylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-fluoranylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H21FN2O2/c1-4-5-18-13-20(26-21(25)16-7-9-17(22)10-8-16)24(23-18)19-11-6-14(2)12-15(19)3/h6-13H,4-5H2,1-3H3