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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclopentylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopentylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(cyclopentylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(cyclopentylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(cyclopentylamino)-6-keto-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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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)NC4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NC4CCCC4

InChI

InChI=1S/C22H25ClN4O3/c1-2-30-22(29)18-19(25-15-10-6-7-11-15)16-12-24-27(20(16)26-21(18)28)13-17(23)14-8-4-3-5-9-14/h3-5,8-9,12,15,17,24-25H,2,6-7,10-11,13H2,1H3