3-[3-[[6-fluoranyl-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]propanenitrile

Systemtic Name: 3-[3-[[6-fluoranyl-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]propanenitrile Openeye Name: 3-[3-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-oxo-pyridazin-1-yl]propanenitrile CAS Name: 3-[3-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-6-oxo-1-pyridazinyl]propanenitrile IUPAC Name: 3-[3-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-6-oxopyridazin-1-yl]propanenitrile Traditional Name: 3-[3-[[6-fluoro-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-keto-pyridazin-1-yl]propionitrile Formula: C20H23FN4O5 MolecularWeight: 418.418823

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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)CCC#N)O)COC

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O5/c1-28-12-19(13-29-2)20(27,11-14-10-15(21)4-5-16(14)30-19)23-17-6-7-18(26)25(24-17)9-3-8-22/h4-7,10,27H,3,9,11-13H2,1-2H3,(H,23,24)