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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-pyrrolidin-1-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-pyrrolidin-1-yl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(1-pyrrolidinyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-pyrrolidino-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCCC3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCCC3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-2-28-21(27)17-12-23-20-16(19(17)25-10-6-7-11-25)13-24-26(20)14-18(22)15-8-4-3-5-9-15/h3-5,8-9,12-13,18H,2,6-7,10-11,14H2,1H3