methyl 4-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]methyl]benzoate Openeye Name: methyl 4-[[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[3,4-d]pyridazin-6-yl]methyl]benzoate CAS Name: 4-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]methyl]benzoate Traditional Name: 4-[[4-cyclopropyl-7-keto-1-(o-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]methyl]benzoic acid methyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC4=CC=C(C=C4)C(=O)OC)C5CC5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC4=CC=C(C=C4)C(=O)OC)C5CC5

InChI

InChI=1S/C24H22N4O3/c1-15-5-3-4-6-20(15)28-22-19(13-25-28)21(17-11-12-17)26-27(23(22)29)14-16-7-9-18(10-8-16)24(30)31-2/h3-10,13,17H,11-12,14H2,1-2H3