(2-azanyl-2-oxidanylidene-ethyl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(3-fluorobenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC(=CC=C4)F)C(=C2)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC(=CC=C4)F)C(=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C22H17FN4O3/c23-16-8-4-5-14(9-16)12-27-21-18(11-25-27)17(22(29)30-13-20(24)28)10-19(26-21)15-6-2-1-3-7-15/h1-11H,12-13H2,(H2,24,28)