1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H29N3O4/c26-20(14-21-10-16-9-17(11-21)13-22(27,12-16)15-21)24-7-5-23(6-8-24)18-1-3-19(4-2-18)25(28)29/h1-4,16-17,27H,5-15H2