2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-6-fluoranyl-3-methyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-6-fluoranyl-3-methyl-benzenecarbonitrile Openeye Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-6-fluoro-3-methyl-benzonitrile CAS Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-6-fluoro-3-methylbenzonitrile IUPAC Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]-6-fluoro-3-methylbenzonitrile Traditional Name: 2-amino-5-[2-(tert-butylamino)-1-hydroxy-ethyl]-6-fluoro-3-methyl-benzonitrile Formula: C14H20FN3O MolecularWeight: 265.326503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)C#N)F)C(CNC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)C#N)F)C(CNC(C)(C)C)O

InChI

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