(2-benzamido-2-oxidanylidene-ethyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-13(2)18-10-16(17-11-23-26(14(3)4)20(17)24-18)22(29)30-12-19(27)25-21(28)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H,25,27,28)