2-(1,3-benzodioxol-5-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-oxadiazole Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

InChI

InChI=1S/C18H18N6O3/c1-4-19-18(20-5-1)24-8-6-23(7-9-24)11-16-21-22-17(27-16)13-2-3-14-15(10-13)26-12-25-14/h1-5,10H,6-9,11-12H2