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

Systemtic Name: 4-[[1-(2-cyanoethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[1-(2-cyanoethyl)-6-oxo-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 4-[[1-(2-cyanoethyl)-6-oxo-3-pyridazinyl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[[1-(2-cyanoethyl)-6-oxopyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[[1-(2-cyanoethyl)-6-keto-pyridazin-3-yl]amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C21H23N5O5 MolecularWeight: 425.43782

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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)CCC#N)O)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5/c1-29-12-21(13-30-2)20(28)19(15-10-14(11-23)4-5-16(15)31-21)24-17-6-7-18(27)26(25-17)9-3-8-22/h4-7,10,19-20,28H,3,9,12-13H2,1-2H3,(H,24,25)