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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

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