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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)