ethyl 3-[(2-fluorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-fluorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(2-fluorophenyl)methyl]-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(2-fluorophenyl)methyl]-1-[oxo(2-pyrazolo[1,5-a]pyrimidinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-fluorophenyl)methyl]-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(2-fluorobenzyl)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)nipecotic acid ethyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN3C=CC=NC3=C2)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN3C=CC=NC3=C2)CC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O3/c1-2-30-21(29)22(14-16-7-3-4-8-17(16)23)9-5-11-26(15-22)20(28)18-13-19-24-10-6-12-27(19)25-18/h3-4,6-8,10,12-13H,2,5,9,11,14-15H2,1H3