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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[oxo(3-pyrazolo[1,5-a]pyrimidinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)nipecotic acid ethyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C3N=CC=CN3N=C2)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C3N=CC=CN3N=C2)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3/c1-2-30-21(29)22(13-16-6-3-7-17(23)12-16)8-4-10-26(15-22)20(28)18-14-25-27-11-5-9-24-19(18)27/h3,5-7,9,11-12,14H,2,4,8,10,13,15H2,1H3/t22-/m0/s1