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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(1-piperidyl)phenyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(1-piperidinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(3-nitro-4-piperidino-phenyl)-1,2,4-oxadiazole Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-28-18-9-7-14(13-19(18)29-2)20-22-21(30-23-20)15-6-8-16(17(12-15)25(26)27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3