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

Systemtic Name: 2-[3-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-6-oxidanylidene-pyridazin-1-yl]ethanenitrile Openeye Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-oxo-pyridazin-1-yl]acetonitrile CAS Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-6-oxo-1-pyridazinyl]acetonitrile IUPAC Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-6-oxopyridazin-1-yl]acetonitrile Traditional Name: 2-[3-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-6-keto-pyridazin-1-yl]acetonitrile Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/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,10-13H2,1-2H3,(H,21,22)