(E)-1-[5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(5-fluoranylpyridin-2-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-(5-fluoranylpyridin-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoro-2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoro-2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoropyridin-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoro-2-pyridyl)prop-2-en-1-one Formula: C17H13Cl2FN2O3 MolecularWeight: 383.201123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2FN2O3/c18-14-11-5-6-22(8-12(11)15(19)17(25)16(14)24)13(23)4-3-10-2-1-9(20)7-21-10/h1-4,7,24-25H,5-6,8H2/b4-3+