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

Systemtic Name: 3-(3-methylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(m-tolyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylphenyl)-5-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(m-tolyl)-5-[[4-(4-nitrophenyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-15-3-2-4-16(13-15)20-21-19(28-22-20)14-23-9-11-24(12-10-23)17-5-7-18(8-6-17)25(26)27/h2-8,13H,9-12,14H2,1H3