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

Systemtic Name: butyl 1-(2-chloranyl-2-phenyl-ethyl)-4-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: butyl 1-(2-chloro-2-phenyl-ethyl)-4-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid butyl ester IUPAC Name: butyl 1-(2-chloro-2-phenylethyl)-4-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-keto-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid butyl ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN=C2C(=CNN2CC(C3=CC=CC=C3)Cl)C1=O

Isomeric SMILES

CCCCOC(=O)C1=CN=C2C(=CNN2CC(C3=CC=CC=C3)Cl)C1=O

InChI

InChI=1S/C19H20ClN3O3/c1-2-3-9-26-19(25)15-10-21-18-14(17(15)24)11-22-23(18)12-16(20)13-7-5-4-6-8-13/h4-8,10-11,16,22H,2-3,9,12H2,1H3