1-[4-azanyl-3-bromanyl-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanone hydrochloride

Systemtic Name: 1-[4-azanyl-3-bromanyl-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanone hydrochloride Openeye Name: 1-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(1,1-dimethylpropylamino)ethanone hydrochloride CAS Name: 1-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanone hydrochloride IUPAC Name: 1-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanone hydrochloride Traditional Name: 1-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(tert-amylamino)ethanone hydrochloride Formula: C14H19BrClF3N2O MolecularWeight: 403.66567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrF3N2O.ClH/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8;/h5-6,20H,4,7,19H2,1-3H3;1H