2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)propanamide

Systemtic Name: 2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)propanamide Openeye Name: 2-[4-(5-cyano-2-pyridyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide CAS Name: 2-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-N-(5-hydroxy-2-adamantyl)propanamide IUPAC Name: 2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide Traditional Name: 2-[4-(5-cyano-2-pyridyl)piperazino]-N-(5-hydroxy-2-adamantyl)propionamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C#N

Isomeric SMILES

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C23H31N5O2/c1-15(27-4-6-28(7-5-27)20-3-2-16(13-24)14-25-20)22(29)26-21-18-8-17-9-19(21)12-23(30,10-17)11-18/h2-3,14-15,17-19,21,30H,4-12H2,1H3,(H,26,29)