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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4-propoxy-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4-propoxy-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-piperonyl-4-propoxy-pyrazole-3-carboxamide Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN(N=C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCOC1=CN(N=C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O4/c1-2-9-27-19-12-25(16-6-4-15(22)5-7-16)24-20(19)21(26)23-11-14-3-8-17-18(10-14)29-13-28-17/h3-8,10,12H,2,9,11,13H2,1H3,(H,23,26)