4-(tert-butylamino)-5-chloranyl-2-fluoranyl-3-(1-hydroxyethyl)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(tert-butylamino)-5-chloranyl-2-fluoranyl-3-(1-hydroxyethyl)benzenecarbonitrile hydrochloride Openeye Name: 4-(tert-butylamino)-5-chloro-2-fluoro-3-(1-hydroxyethyl)benzonitrile hydrochloride CAS Name: 4-(tert-butylamino)-5-chloro-2-fluoro-3-(1-hydroxyethyl)benzonitrile hydrochloride IUPAC Name: 4-(tert-butylamino)-5-chloro-2-fluoro-3-(1-hydroxyethyl)benzonitrile hydrochloride Traditional Name: 4-(tert-butylamino)-5-chloro-2-fluoro-3-(1-hydroxyethyl)benzonitrile hydrochloride Formula: C13H17Cl2FN2O MolecularWeight: 307.191283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC(=C1NC(C)(C)C)Cl)C#N)F)O.Cl

Isomeric SMILES

CC(C1=C(C(=CC(=C1NC(C)(C)C)Cl)C#N)F)O.Cl

InChI

InChI=1S/C13H16ClFN2O.ClH/c1-7(18)10-11(15)8(6-16)5-9(14)12(10)17-13(2,3)4;/h5,7,17-18H,1-4H3;1H