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

Systemtic Name: ethyl 1-(2-chloranyl-3-phenoxy-propyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-3-phenoxy-propyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-3-phenoxypropyl)-4-(cyclohexylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-3-phenoxypropyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-3-phenoxy-propyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C24H29ClN4O3 MolecularWeight: 456.96506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3CCCCC3)C=NN2CC(COC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3CCCCC3)C=NN2CC(COC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H29ClN4O3/c1-2-31-24(30)21-13-26-23-20(22(21)28-18-9-5-3-6-10-18)14-27-29(23)15-17(25)16-32-19-11-7-4-8-12-19/h4,7-8,11-14,17-18H,2-3,5-6,9-10,15-16H2,1H3,(H,26,28)