1-[5-bromanyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indol-3-yl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[5-bromanyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indol-3-yl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]indol-3-yl]-2,2,2-trifluoro-ethanone CAS Name: 1-[5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-indolyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indol-3-yl]-2,2,2-trifluoroethanone Traditional Name: 1-[5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]indol-3-yl]-2,2,2-trifluoro-ethanone Formula: C21H16BrF3N2O2 MolecularWeight: 465.26315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C(=O)C(F)(F)F

InChI

InChI=1S/C21H16BrF3N2O2/c22-15-5-6-18-16(9-15)17(20(29)21(23,24)25)11-27(18)12-19(28)26-8-7-13-3-1-2-4-14(13)10-26/h1-6,9,11H,7-8,10,12H2