3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NNC(=C2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NNC(=C2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O4/c1-2-3-10-27-18-7-5-4-6-15(18)16-12-17(25-24-16)22-23-21(26-30-22)14-8-9-19-20(11-14)29-13-28-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,24,25)