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

Systemtic Name: 3-[3-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]propanenitrile Openeye Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-oxo-pyridazin-1-yl]propanenitrile CAS Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-6-oxo-1-pyridazinyl]propanenitrile IUPAC Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-6-oxopyridazin-1-yl]propanenitrile Traditional Name: 3-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-keto-pyridazin-1-yl]propionitrile Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CCC#N)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CCC#N)O)COC

InChI

InChI=1S/C20H24N4O5/c1-27-13-19(14-28-2)20(26,12-15-6-3-4-7-16(15)29-19)22-17-8-9-18(25)24(23-17)11-5-10-21/h3-4,6-9,26H,5,11-14H2,1-2H3,(H,22,23)