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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O3/c1-13(2)27-21-19(11-24-27)18(4-14(3)25-21)22(29)30-12-20(28)26-23-8-15-5-16(9-23)7-17(6-15)10-23/h4,11,13,15-17H,5-10,12H2,1-3H3,(H,26,28)