7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-(4-piperonylpiperazino)-5-pyrrolidino-benzofurazan Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5/c29-28(30)22-17(26-5-1-2-6-26)12-16(20-21(22)24-33-23-20)27-9-7-25(8-10-27)13-15-3-4-18-19(11-15)32-14-31-18/h3-4,11-12H,1-2,5-10,13-14H2