1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[5-(3-thiophenyl)-1,3,4-oxadiazol-2-yl]-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one Traditional Name: 1-(4-piperonylpiperazino)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propan-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NN=C(O4)C5=CSC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NN=C(O4)C5=CSC=C5

InChI

InChI=1S/C21H22N4O4S/c26-20(4-3-19-22-23-21(29-19)16-5-10-30-13-16)25-8-6-24(7-9-25)12-15-1-2-17-18(11-15)28-14-27-17/h1-2,5,10-11,13H,3-4,6-9,12,14H2