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

Systemtic Name: (phenylmethyl) 3-[3-bromanyl-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 3-[3-bromo-7-(3-pyridyloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 3-[3-bromo-7-[[oxo(3-pyridinyloxy)methyl]amino]-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 3-[3-bromo-7-(3-pyridyloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid benzyl ester Formula: C25H23BrN6O4 MolecularWeight: 551.39192

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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)NC(=O)OC5=CN=CC=C5)Br

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NC(=O)OC5=CN=CC=C5)Br

InChI

InChI=1S/C25H23BrN6O4/c26-20-14-28-32-22(30-24(33)36-19-9-4-10-27-13-19)12-21(29-23(20)32)18-8-5-11-31(15-18)25(34)35-16-17-6-2-1-3-7-17/h1-4,6-7,9-10,12-14,18H,5,8,11,15-16H2,(H,30,33)