4-[[1-(cyanomethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[1-(cyanomethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[1-(cyanomethyl)-6-oxo-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-[[1-(cyanomethyl)-6-oxo-3-pyridazinyl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[[1-(cyanomethyl)-6-oxopyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[[1-(cyanomethyl)-6-keto-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c1-28-11-20(12-29-2)19(27)18(14-9-13(10-22)3-4-15(14)30-20)23-16-5-6-17(26)25(24-16)8-7-21/h3-6,9,18-19,27H,8,11-12H2,1-2H3,(H,23,24)