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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-piperonylpiperazino)-3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC(=NO4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=NC(=NO4)C5=CN=CC=C5

InChI

InChI=1S/C22H23N5O4/c28-21(6-5-20-24-22(25-31-20)17-2-1-7-23-13-17)27-10-8-26(9-11-27)14-16-3-4-18-19(12-16)30-15-29-18/h1-4,7,12-13H,5-6,8-11,14-15H2