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

Systemtic Name: 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-chloranyl-2-fluoranyl-benzenecarbonitrile hydrochloride Openeye Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-chloro-2-fluoro-benzonitrile hydrochloride CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-chloro-2-fluorobenzonitrile hydrochloride IUPAC Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-chloro-2-fluorobenzonitrile hydrochloride Traditional Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-chloro-2-fluoro-benzonitrile hydrochloride Formula: C13H17Cl2FN2O MolecularWeight: 307.191283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClFN2O.ClH/c1-13(2,3)17-7-11(18)10-5-9(14)4-8(6-16)12(10)15;/h4-5,11,17-18H,7H2,1-3H3;1H