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

Systemtic Name: 3-(2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 3-(2-methoxyphenyl)-5-[4-(2-methyl-1-piperidyl)-3-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 3-(2-methoxyphenyl)-5-[4-(2-methyl-1-piperidinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methoxyphenyl)-5-[4-(2-methylpiperidin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 3-(2-methoxyphenyl)-5-[4-(2-methylpiperidino)-3-nitro-phenyl]-1,2,4-oxadiazole Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-7-5-6-12-24(14)17-11-10-15(13-18(17)25(26)27)21-22-20(23-29-21)16-8-3-4-9-19(16)28-2/h3-4,8-11,13-14H,5-7,12H2,1-2H3