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

Systemtic Name: methyl 4-[(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate Openeye Name: methyl 4-[(4-methyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate CAS Name: 4-[(4-methyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoate Traditional Name: 4-[(7-keto-4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)methyl]benzoic acid methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1C=NN2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NN(C(=O)C2=C1C=NN2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O3/c1-14-18-12-22-25(17-6-4-3-5-7-17)19(18)20(26)24(23-14)13-15-8-10-16(11-9-15)21(27)28-2/h3-12H,13H2,1-2H3