2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O/c26-21(14-22-11-18-8-19(12-22)10-20(9-18)13-22)25-6-4-24(5-7-25)16-17-2-1-3-23-15-17/h1-3,15,18-20H,4-14,16H2