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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-15(21(24)28)30-23(29)18-12-20(17-10-6-3-7-11-17)26-22-19(18)13-25-27(22)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,24,28)/t15-/m0/s1