2-[4-(6-chloranylpyridin-3-yl)piperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)propanamide

Systemtic Name: 2-[4-(6-chloranylpyridin-3-yl)piperazin-1-yl]-N-(5-oxidanyl-2-adamantyl)propanamide Openeye Name: 2-[4-(6-chloro-3-pyridyl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide CAS Name: 2-[4-(6-chloro-3-pyridinyl)-1-piperazinyl]-N-(5-hydroxy-2-adamantyl)propanamide IUPAC Name: 2-[4-(6-chloropyridin-3-yl)piperazin-1-yl]-N-(5-hydroxy-2-adamantyl)propanamide Traditional Name: 2-[4-(6-chloro-3-pyridyl)piperazino]-N-(5-hydroxy-2-adamantyl)propionamide Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=CN=C(C=C5)Cl

Isomeric SMILES

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)O)N4CCN(CC4)C5=CN=C(C=C5)Cl

InChI

InChI=1S/C22H31ClN4O2/c1-14(26-4-6-27(7-5-26)18-2-3-19(23)24-13-18)21(28)25-20-16-8-15-9-17(20)12-22(29,10-15)11-16/h2-3,13-17,20,29H,4-12H2,1H3,(H,25,28)