ethyl 1-(2-chloranyl-2-phenyl-ethyl)-6-oxidanylidene-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-6-oxidanylidene-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-6-oxo-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-6-oxo-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-6-oxo-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-6-keto-4-(phenethylamino)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O3/c1-2-33-25(32)21-22(27-14-13-17-9-5-3-6-10-17)19-15-28-30(23(19)29-24(21)31)16-20(26)18-11-7-4-8-12-18/h3-12,15,20,27-28H,2,13-14,16H2,1H3