(phenylmethyl) 4-(3-bromanyl-7-chloranyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-bromanyl-7-chloranyl-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(3-bromo-7-chloro-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate CAS Name: 4-(3-bromo-7-chloro-5-pyrazolo[1,5-a]pyrimidinyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-bromo-7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate Traditional Name: 4-(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:

C1CN(CCC1C2=NC3=C(C=NN3C(=C2)Cl)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC3=C(C=NN3C(=C2)Cl)Br)C(=O)OCC4=CC=CC=C4

InChI

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