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

Systemtic Name: methyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 1-(2-chloro-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C24H23ClN4O2 MolecularWeight: 434.91802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27)