(E)-1-[5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one

Systemtic Name: (E)-1-[5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one Openeye Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)-3-pyridyl]prop-2-en-1-one CAS Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]-2-propen-1-one IUPAC Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one Traditional Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(trifluoromethyl)-3-pyridyl]prop-2-en-1-one Formula: C18H13Cl2F3N2O3 MolecularWeight: 433.20863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)C=CC3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)/C=C/C3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13Cl2F3N2O3/c19-14-10-5-6-25(8-11(10)15(20)17(28)16(14)27)13(26)4-2-9-1-3-12(24-7-9)18(21,22)23/h1-4,7,27-28H,5-6,8H2/b4-2+