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

Systemtic Name: 5-(3-nitro-4-piperidin-1-yl-phenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-[3-nitro-4-(1-piperidyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-[3-nitro-4-(1-piperidinyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3-nitro-4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3-nitro-4-piperidino-phenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-29-18-12-15(13-19(30-2)20(18)31-3)21-23-22(32-24-21)14-7-8-16(17(11-14)26(27)28)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10H2,1-3H3