(4E)-2-fluoranyl-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-fluoranyl-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-fluoro-4-[3-[(7-methoxy-4-quinolyl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-fluoro-4-[3-[(7-methoxy-4-quinolinyl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-fluoro-4-[3-[(7-methoxy-4-quinolyl)oxymethyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H16FN5O3 MolecularWeight: 417.392543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3NC(=C5C=CC(=O)C(=C5)F)C=C4

Isomeric SMILES

COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N/C(=C/5\C=CC(=O)C(=C5)F)/C=C4

InChI

InChI=1S/C22H16FN5O3/c1-30-14-3-4-15-18(11-14)24-9-8-20(15)31-12-22-26-25-21-7-5-17(27-28(21)22)13-2-6-19(29)16(23)10-13/h2-11,27H,12H2,1H3/b17-13+