ethyl 4-(oxan-4-ylamino)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(oxan-4-ylamino)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-phenyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(4-oxanylamino)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(oxan-4-ylamino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-phenyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3CCOCC3)C=NN2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3CCOCC3)C=NN2C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3/c1-2-27-20(25)17-12-21-19-16(18(17)23-14-8-10-26-11-9-14)13-22-24(19)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,21,23)