methyl 5-[(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-cyclopropyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyclopropyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-cyclopropyl-7-keto-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=O)C3=C(C=NN3C4=CC=CC=C4)C(=N2)C5CC5

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=O)C3=C(C=NN3C4=CC=CC=C4)C(=N2)C5CC5

InChI

InChI=1S/C21H18N4O4/c1-28-21(27)17-10-9-15(29-17)12-24-20(26)19-16(18(23-24)13-7-8-13)11-22-25(19)14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3