3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[3-nitro-4-(4-phenylpiperazino)phenyl]-1,2,4-oxadiazole Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C26H25N5O5/c1-34-23-11-9-18(17-24(23)35-2)25-27-26(36-28-25)19-8-10-21(22(16-19)31(32)33)30-14-12-29(13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3