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

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-(2-fluoranylethyl)pyridazin-3-one Openeye Name: 2-(2-fluoroethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one CAS Name: 2-(2-fluoroethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-3-pyridazinone IUPAC Name: 2-(2-fluoroethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]pyridazin-3-one Traditional Name: 2-(2-fluoroethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one Formula: C19H24FN3O5 MolecularWeight: 393.409363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CCF)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CCF)O)COC

InChI

InChI=1S/C19H24FN3O5/c1-26-12-18(13-27-2)19(25,11-14-5-3-4-6-15(14)28-18)21-16-7-8-17(24)23(22-16)10-9-20/h3-8,25H,9-13H2,1-2H3,(H,21,22)