[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H30BrN3O3/c24-23-12-17-9-18(13-23)11-22(10-17,16-23)14-21(29)30-15-20(28)27-7-5-26(6-8-27)19-3-1-2-4-25-19/h1-4,17-18H,5-16H2