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

Systemtic Name: 2-(1-adamantyl)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C27H38N4O3/c32-26(19-27-16-20-12-21(17-27)14-22(13-20)18-27)30-10-8-28(9-11-30)23-4-5-24(31(33)34)25(15-23)29-6-2-1-3-7-29/h4-5,15,20-22H,1-3,6-14,16-19H2