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

Systemtic Name: 6-azanyl-3-[1-(tert-butylamino)-1-oxidanyl-ethyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 6-amino-3-[1-(tert-butylamino)-1-hydroxy-ethyl]-2-fluoro-benzonitrile CAS Name: 6-amino-3-[1-(tert-butylamino)-1-hydroxyethyl]-2-fluorobenzonitrile IUPAC Name: 6-amino-3-[1-(tert-butylamino)-1-hydroxyethyl]-2-fluorobenzonitrile Traditional Name: 6-amino-3-[1-(tert-butylamino)-1-hydroxy-ethyl]-2-fluoro-benzonitrile Formula: C13H18FN3O MolecularWeight: 251.299923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O/c1-12(2,3)17-13(4,18)9-5-6-10(16)8(7-15)11(9)14/h5-6,17-18H,16H2,1-4H3