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

Systemtic Name: butyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: butyl 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(propylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid butyl ester IUPAC Name: butyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid butyl ester Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN=C2C(=C1NCCC)C=NN2CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CN=C2C(=C1NCCC)C=NN2CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H27ClN4O2/c1-3-5-12-29-22(28)18-13-25-21-17(20(18)24-11-4-2)14-26-27(21)15-19(23)16-9-7-6-8-10-16/h6-10,13-14,19H,3-5,11-12,15H2,1-2H3,(H,24,25)