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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(cyclohexylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(cyclohexylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2/c1-2-30-23(29)19-13-25-22-18(21(19)27-17-11-7-4-8-12-17)14-26-28(22)15-20(24)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17,20H,2,4,7-8,11-12,15H2,1H3,(H,25,27)