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

Systemtic Name: 3-(3-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-(m-tolyl)-1,2,4-oxadiazole CAS Name: 3-(3-methylphenyl)-5-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 5-[4-(4-methylpiperazino)-3-nitro-phenyl]-3-(m-tolyl)-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)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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