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

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(3-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-nitro-2-pyridyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(3-nitro-2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(3-nitropyridin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-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=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

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