(phenylmethyl) 3-(7-chloranyl-3-cyclopropyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(7-chloranyl-3-cyclopropyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Openeye Name: benzyl 3-(7-chloro-3-cyclopropyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate CAS Name: 3-(7-chloro-3-cyclopropyl-5-pyrazolo[1,5-a]pyrimidinyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Traditional Name: 3-(7-chloro-3-cyclopropyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid benzyl ester Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)Cl)C5CC5

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)Cl)C5CC5

InChI

InChI=1S/C22H23ClN4O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14H2