methyl 4-[(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate Openeye Name: methyl 4-[(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate CAS Name: 4-[(4-cyclopropyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyclopropyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate Traditional Name: 4-[(4-cyclopropyl-7-keto-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoic acid methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3/c1-30-23(29)17-9-7-15(8-10-17)14-26-22(28)21-19(20(25-26)16-11-12-16)13-24-27(21)18-5-3-2-4-6-18/h2-10,13,16H,11-12,14H2,1H3