1-adamantyl-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(7-nitrobenzofurazan-4-yl)piperazino]methanone Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H25N5O4/c27-20(21-10-13-7-14(11-21)9-15(8-13)12-21)25-5-3-24(4-6-25)16-1-2-17(26(28)29)19-18(16)22-30-23-19/h1-2,13-15H,3-12H2