3-(4-methylphenyl)-5-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-nitro-2-pyridyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(5-nitro-2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(5-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-nitro-2-pyridyl)piperazino]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c1-14-2-4-15(5-3-14)19-21-18(28-22-19)13-23-8-10-24(11-9-23)17-7-6-16(12-20-17)25(26)27/h2-7,12H,8-11,13H2,1H3