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4-[2-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]-2-adamantyl]benzenecarbonitrile

4-[2-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]-2-adamantyl]benzenecarbonitrile

Systemtic Name:4-[2-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]-2-adamantyl]benzenecarbonitrile
Openeye Name:4-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxo-ethyl]-2-adamantyl]benzonitrile
CAS Name:4-[2-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-2-adamantyl]benzonitrile
IUPAC Name:4-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2-adamantyl]benzonitrile
Traditional Name:4-[2-[2-(3-hydroxyazetidin-1-yl)-2-keto-ethyl]-2-adamantyl]benzonitrile
Formula: C22H26N2O2
MolecularWeight: 350.45404
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)C#N


Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)N4CC(C4)O)C5=CC=C(C=C5)C#N


InChI

InChI=1S/C22H26N2O2/c23-11-14-1-3-17(4-2-14)22(10-21(26)24-12-20(25)13-24)18-6-15-5-16(8-18)9-19(22)7-15/h1-4,15-16,18-20,25H,5-10,12-13H2


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