2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]benzonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-15-2-4-16(5-3-15)21-23-20(30-24-21)14-25-8-10-26(11-9-25)19-7-6-18(27(28)29)12-17(19)13-22/h2-7,12H,8-11,14H2,1H3