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

Systemtic Name: N-(1-adamantyl)-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(1-adamantyl)-5-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-(1-adamantyl)-5-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(1-adamantyl)-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 1-adamantyl-[6-(4-methylpiperidino)-7-nitro-benzofurazan-4-yl]amine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-13-2-4-26(5-3-13)18-9-17(19-20(25-30-24-19)21(18)27(28)29)23-22-10-14-6-15(11-22)8-16(7-14)12-22/h9,13-16,23H,2-8,10-12H2,1H3