2-(1-adamantyl)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(3-morpholino-4-nitro-phenyl)piperazino]ethanone Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H36N4O4/c31-25(18-26-15-19-11-20(16-26)13-21(12-19)17-26)29-5-3-27(4-6-29)22-1-2-23(30(32)33)24(14-22)28-7-9-34-10-8-28/h1-2,14,19-21H,3-13,15-18H2