ethyl 4-(tert-butylamino)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(tert-butylamino)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(tert-butylamino)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(tert-butylamino)-1-(2-chloro-2-phenylethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(tert-butylamino)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(tert-butylamino)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC(C)(C)C)C=NN2CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC(C)(C)C)C=NN2CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-5-28-20(27)16-11-23-19-15(18(16)25-21(2,3)4)12-24-26(19)13-17(22)14-9-7-6-8-10-14/h6-12,17H,5,13H2,1-4H3,(H,23,25)