2-(3-oxidanyl-1-adamantyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(3-oxidanyl-1-adamantyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(3-hydroxy-1-adamantyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]acetamide CAS Name: 2-(3-hydroxy-1-adamantyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-(3-hydroxy-1-adamantyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(3-hydroxy-1-adamantyl)-N-[6-(3-ketopiperazino)-3-pyridyl]acetamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C21H28N4O3/c26-18(10-20-6-14-5-15(7-20)9-21(28,8-14)13-20)24-16-1-2-17(23-11-16)25-4-3-22-19(27)12-25/h1-2,11,14-15,28H,3-10,12-13H2,(H,22,27)(H,24,26)