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

Systemtic Name: ethyl 1-(2-chloranyl-3-phenoxy-propyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-3-phenoxy-propyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-3-phenoxypropyl)-4-(phenethylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-3-phenoxypropyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-3-phenoxy-propyl)-4-(phenethylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(COC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCCC3=CC=CC=C3)C=NN2CC(COC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H27ClN4O3/c1-2-33-26(32)23-15-29-25-22(24(23)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-20(27)18-34-21-11-7-4-8-12-21/h3-12,15-16,20H,2,13-14,17-18H2,1H3,(H,28,29)