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

Systemtic Name: propan-2-yl 1-(2-chloranyl-2-phenyl-ethyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29)