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

Systemtic Name: (phenylmethyl) 3-(3-bromanyl-7-chloranyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Openeye Name: benzyl 3-(3-bromo-7-chloro-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate CAS Name: 3-(3-bromo-7-chloro-5-pyrazolo[1,5-a]pyrimidinyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-bromo-7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Traditional Name: 3-(3-bromo-7-chloro-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid benzyl ester Formula: C19H18BrClN4O2 MolecularWeight: 449.72882

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN4O2/c20-15-10-22-25-17(21)9-16(23-18(15)25)14-7-4-8-24(11-14)19(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,14H,4,7-8,11-12H2