3-(4-methylphenyl)-5-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-nitro-8-quinolyl)piperazin-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(5-nitro-8-quinolinyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-nitro-8-quinolyl)piperazino]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C23H22N6O3/c1-16-4-6-17(7-5-16)23-25-21(32-26-23)15-27-11-13-28(14-12-27)20-9-8-19(29(30)31)18-3-2-10-24-22(18)20/h2-10H,11-15H2,1H3