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

Systemtic Name: 6-[[2-(tert-butylamino)-1-oxidanyl-ethyl]amino]-2-fluoranyl-3-methyl-benzenecarbonitrile Openeye Name: 6-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-2-fluoro-3-methyl-benzonitrile CAS Name: 6-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-2-fluoro-3-methylbenzonitrile IUPAC Name: 6-[[2-(tert-butylamino)-1-hydroxyethyl]amino]-2-fluoro-3-methylbenzonitrile Traditional Name: 6-[[2-(tert-butylamino)-1-hydroxy-ethyl]amino]-2-fluoro-3-methyl-benzonitrile Formula: C14H20FN3O MolecularWeight: 265.326503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NC(CNC(C)(C)C)O)C#N)F

Isomeric SMILES

CC1=C(C(=C(C=C1)NC(CNC(C)(C)C)O)C#N)F

InChI

InChI=1S/C14H20FN3O/c1-9-5-6-11(10(7-16)13(9)15)18-12(19)8-17-14(2,3)4/h5-6,12,17-19H,8H2,1-4H3