3-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 5-[4-(4-methylpiperazino)-3-nitro-phenyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-3-5-15(6-4-14)19-21-20(28-22-19)16-7-8-17(18(13-16)25(26)27)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3