(phenylmethyl) 2-(4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(4-chloro-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCN3C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCN3C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C20H20ClN5O3/c1-13-16-17(21)15(11-22-18(16)24(2)23-13)19(27)25-9-6-10-26(25)20(28)29-12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3