(phenylmethyl) 2-(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-cyclopropyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanoate Openeye Name: benzyl 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetate CAS Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetate Traditional Name: 2-(4-cyclopropyl-7-keto-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetic acid benzyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=O)C3=C2C=NN3C4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=O)C3=C2C=NN3C4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C23H20N4O3/c28-20(30-15-16-7-3-1-4-8-16)14-26-23(29)22-19(21(25-26)17-11-12-17)13-24-27(22)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2