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

Systemtic Name: 2,2-bis(methoxymethyl)-3-oxidanyl-3-[(6-oxidanylidene-1-prop-2-enyl-pyridazin-3-yl)amino]-4H-chromene-6-carbonitrile Openeye Name: 3-[(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)-3-[(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)-3-[(6-oxo-1-prop-2-enylpyridazin-3-yl)amino]-4H-chromene-6-carbonitrile Traditional Name: 3-[(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(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC=C)O)COC

Isomeric SMILES

COCC1(C(CC2=C(O1)C=CC(=C2)C#N)(NC3=NN(C(=O)C=C3)CC=C)O)COC

InChI

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