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

Systemtic Name: 3-(2-methylphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 5-[4-(2-methyl-1-piperidyl)-3-nitro-phenyl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[4-(2-methyl-1-piperidinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 5-[4-(2-methylpiperidino)-3-nitro-phenyl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-14-7-3-4-9-17(14)20-22-21(28-23-20)16-10-11-18(19(13-16)25(26)27)24-12-6-5-8-15(24)2/h3-4,7,9-11,13,15H,5-6,8,12H2,1-2H3