3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-fluoro-benzonitrile CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorobenzonitrile IUPAC Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorobenzonitrile Traditional Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-fluoro-benzonitrile Formula: C13H17FN2O MolecularWeight: 236.285283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=CC(=C1)C#N)F)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=CC(=C1)C#N)F)O

InChI

InChI=1S/C13H17FN2O/c1-13(2,3)16-8-12(17)10-4-9(7-15)5-11(14)6-10/h4-6,12,16-17H,8H2,1-3H3