3-[[1-[(E)-but-2-enyl]-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromene-6-carbonitrile

Systemtic Name: 3-[[1-[(E)-but-2-enyl]-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromene-6-carbonitrile Openeye Name: 3-[[1-[(E)-but-2-enyl]-6-oxo-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 3-[[1-[(E)-but-2-enyl]-6-oxo-3-pyridazinyl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-[[1-[(E)-but-2-enyl]-6-oxopyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromene-6-carbonitrile Traditional Name: 3-[[1-[(E)-but-2-enyl]-6-keto-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C=CC(=N1)NC2(CC3=C(C=CC(=C3)C#N)OC2(COC)COC)O

Isomeric SMILES

C/C=C/CN1C(=O)C=CC(=N1)NC2(CC3=C(C=CC(=C3)C#N)OC2(COC)COC)O

InChI

InChI=1S/C22H26N4O5/c1-4-5-10-26-20(27)9-8-19(25-26)24-22(28)12-17-11-16(13-23)6-7-18(17)31-21(22,14-29-2)15-30-3/h4-9,11,28H,10,12,14-15H2,1-3H3,(H,24,25)/b5-4+