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

Systemtic Name: propyl 1-(2-chloranyl-2-phenyl-ethyl)-4-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3/c1-2-8-25-18(24)14-9-20-17-13(16(14)23)10-21-22(17)11-15(19)12-6-4-3-5-7-12/h3-7,9-10,15,21H,2,8,11H2,1H3