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

Systemtic Name: 3-(phenylmethyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(phenylmethyl)-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)CC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O/c1-2-5-15(6-3-1)13-16-21-17(25-22-16)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8H,9-14H2