methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-pyridazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-pyridazin-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-1-pyridazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-pyridazin-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=O)C=C(C=N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=O)C=C(C=N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3O4/c1-26-20(25)18-7-6-17(27-18)13-23-19(24)10-16(11-21-23)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10-11H,8-9,12-13H2,1H3