N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-ethyl-1-(4-fluorophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(4-fluorophenyl)-N-homopiperonyl-pyrazole-4-carboxamide Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20FN3O3/c1-2-18-17(12-24-25(18)16-6-4-15(22)5-7-16)21(26)23-10-9-14-3-8-19-20(11-14)28-13-27-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,26)