7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-(3-chlorophenyl)-1-piperazinyl]-5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-[4-(3-chlorophenyl)piperazino]-5-(4-methylpiperazino)-4-nitro-benzofurazan Formula: C21H24ClN7O3 MolecularWeight: 457.91336

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCN(CC4)C5=CC(=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN7O3/c1-25-5-7-28(8-6-25)18-14-17(19-20(24-32-23-19)21(18)29(30)31)27-11-9-26(10-12-27)16-4-2-3-15(22)13-16/h2-4,13-14H,5-12H2,1H3