N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-(1-adamantyl)-5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 1-adamantyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-25-2-4-26(5-3-25)17-9-16(18-19(24-30-23-18)20(17)27(28)29)22-21-10-13-6-14(11-21)8-15(7-13)12-21/h9,13-15,22H,2-8,10-12H2,1H3