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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[4-(4-methylpiperazino)-3-nitro-phenyl]-1,2,4-oxadiazole Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c1-24-8-10-25(11-9-24)16-6-4-15(12-17(16)26(27)28)21-22-20(23-31-21)14-5-7-18(29-2)19(13-14)30-3/h4-7,12-13H,8-11H2,1-3H3