2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2,4-bis(1,3-benzodioxol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2,4-dipiperonyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C20H15F3N2O5 MolecularWeight: 420.33871

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(NN(C3=O)CC4=CC5=C(C=C4)OCO5)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(NN(C3=O)CC4=CC5=C(C=C4)OCO5)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2