ethyl 1-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)nipecotic acid ethyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C22H23ClN4O3/c1-3-30-22(29)15-8-7-11-26(13-15)21(28)17-12-24-20-18(19(17)23)14(2)25-27(20)16-9-5-4-6-10-16/h4-6,9-10,12,15H,3,7-8,11,13H2,1-2H3