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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-6-oxidanylidene-4-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-6-oxo-4-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-6-oxo-4-(1-pyrrolidinyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-6-oxo-4-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-6-keto-4-pyrrolidino-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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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)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)N4CCCC4

InChI

InChI=1S/C21H23ClN4O3/c1-2-29-21(28)17-18(25-10-6-7-11-25)15-12-23-26(19(15)24-20(17)27)13-16(22)14-8-4-3-5-9-14/h3-5,8-9,12,16,23H,2,6-7,10-11,13H2,1H3