N-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-N-piperonyl-pyrazole-3-carboxamide Formula: C26H22FN3O5 MolecularWeight: 475.468383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C26H22FN3O5/c1-32-19-8-9-20(24(12-19)33-2)21-13-22(30(29-21)18-6-4-17(27)5-7-18)26(31)28-14-16-3-10-23-25(11-16)35-15-34-23/h3-13H,14-15H2,1-2H3,(H,28,31)