6-[[6-fluoranyl-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-prop-2-enyl-pyridazin-3-one

Systemtic Name: 6-[[6-fluoranyl-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-prop-2-enyl-pyridazin-3-one Openeye Name: 2-allyl-6-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one CAS Name: 6-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-2-prop-2-enyl-3-pyridazinone IUPAC Name: 6-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-2-prop-2-enylpyridazin-3-one Traditional Name: 2-allyl-6-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one Formula: C20H24FN3O5 MolecularWeight: 405.420063

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=C(O1)C=CC(=C2)F)(NC3=NN(C(=O)C=C3)CC=C)O)COC

Isomeric SMILES

COCC1(C(CC2=C(O1)C=CC(=C2)F)(NC3=NN(C(=O)C=C3)CC=C)O)COC

InChI

InChI=1S/C20H24FN3O5/c1-4-9-24-18(25)8-7-17(23-24)22-20(26)11-14-10-15(21)5-6-16(14)29-19(20,12-27-2)13-28-3/h4-8,10,26H,1,9,11-13H2,2-3H3,(H,22,23)