3-(2-methylphenyl)-5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazole Openeye Name: 5-[3-nitro-4-(1-piperidyl)phenyl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[3-nitro-4-(1-piperidinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-nitro-4-piperidino-phenyl)-3-(o-tolyl)-1,2,4-oxadiazole Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-14-7-3-4-8-16(14)19-21-20(27-22-19)15-9-10-17(18(13-15)24(25)26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3