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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c28-27(29)21-18(26-5-3-1-2-4-6-26)10-17(19-20(21)25-30-24-19)23-22-11-14-7-15(12-22)9-16(8-14)13-22/h10,14-16,23H,1-9,11-13H2