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

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-4-[(6-oxidanylidene-1-prop-2-enyl-pyridazin-3-yl)amino]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[(1-allyl-6-oxo-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(6-oxo-1-prop-2-enyl-3-pyridazinyl)amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[(6-oxo-1-prop-2-enylpyridazin-3-yl)amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[(1-allyl-6-keto-pyridazin-3-yl)amino]-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C21H24N4O5 MolecularWeight: 412.43906

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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=C)O)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-4-9-25-18(26)8-7-17(24-25)23-19-15-10-14(11-22)5-6-16(15)30-21(12-28-2,13-29-3)20(19)27/h4-8,10,19-20,27H,1,9,12-13H2,2-3H3,(H,23,24)