N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-butoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-butoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-butoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-butoxybenzamide Traditional Name: 4-butoxy-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-2-3-10-26-16-7-5-15(6-8-16)20(25)22-21-24-23-19(29-21)12-14-4-9-17-18(11-14)28-13-27-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,24,25)