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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NO2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NO2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O/c1-14-4-2-5-15(12-14)17-21-16(22-25-17)13-23-8-10-24(11-9-23)18-19-6-3-7-20-18/h2-7,12H,8-11,13H2,1H3