1-(7-azanyl-8-bromanyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-(7-azanyl-8-bromanyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-(7-amino-8-bromo-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-trifluoro-ethanone CAS Name: 1-(7-amino-8-bromo-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone IUPAC Name: 1-(7-amino-8-bromo-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone Traditional Name: 1-(7-amino-8-bromo-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2,2,2-trifluoro-ethanone Formula: C13H14BrF3N2O MolecularWeight: 351.16227

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2Br)N)C(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2Br)N)C(=O)C(F)(F)F)C

InChI

InChI=1S/C13H14BrF3N2O/c1-12(2)6-19(11(20)13(15,16)17)5-7-8(12)3-4-9(18)10(7)14/h3-4H,5-6,18H2,1-2H3