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

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

CC1CCCN(C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

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