1-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O3/c26-21(22-12-16-9-17(13-22)11-18(10-16)14-22)15-23-5-7-24(8-6-23)19-1-3-20(4-2-19)25(27)28/h1-4,16-18H,5-15H2