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

Systemtic Name: 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[4-(4-methylpiperazino)-3-nitro-phenyl]-1,2,4-oxadiazole Formula: C20H21N5O4 MolecularWeight: 395.41184

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-23-9-11-24(12-10-23)17-8-5-15(13-18(17)25(26)27)20-21-19(22-29-20)14-3-6-16(28-2)7-4-14/h3-8,13H,9-12H2,1-2H3