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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 7-(4-benzyl-1-piperidyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(4-methyl-1-piperazinyl)-4-nitro-7-[4-(phenylmethyl)-1-piperidinyl]-2,1,3-benzoxadiazole IUPAC Name: 7-(4-benzylpiperidin-1-yl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-(4-benzylpiperidino)-5-(4-methylpiperazino)-4-nitro-benzofurazan Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O3/c1-26-11-13-28(14-12-26)20-16-19(21-22(25-32-24-21)23(20)29(30)31)27-9-7-18(8-10-27)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3