[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-14(2)16(5)25-21(28)13-30-23(29)18-11-20(17-9-7-6-8-10-17)26-22-19(18)12-24-27(22)15(3)4/h6-12,14-16H,13H2,1-5H3,(H,25,28)/t16-/m0/s1