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

Systemtic Name: methyl 1-(2-chloranyl-2-phenyl-ethyl)-4-pyrrolidin-1-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c1-27-20(26)16-11-22-19-15(18(16)24-9-5-6-10-24)12-23-25(19)13-17(21)14-7-3-2-4-8-14/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3