5-(azepan-1-yl)-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-(azepan-1-yl)-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(azepan-1-yl)-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(1-azepanyl)-7-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(azepan-1-yl)-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(azepan-1-yl)-7-(4-methylpiperazino)-4-nitro-benzofurazan Formula: C17H24N6O3 MolecularWeight: 360.41086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C17H24N6O3/c1-20-8-10-22(11-9-20)13-12-14(21-6-4-2-3-5-7-21)17(23(24)25)16-15(13)18-26-19-16/h12H,2-11H2,1H3