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

Systemtic Name: (phenylmethyl) 4-[3-bromanyl-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-bromo-7-(3-pyridyloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-bromo-7-[[oxo(3-pyridinyloxy)methyl]amino]-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-bromo-7-(pyridin-3-yloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-bromo-7-(3-pyridyloxycarbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid benzyl ester Formula: C25H23BrN6O4 MolecularWeight: 551.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(C=NN3C(=C2)NC(=O)OC4=CN=CC=C4)Br)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=C(C=NN3C(=C2)NC(=O)OC4=CN=CC=C4)Br)C(=O)OCC5=CC=CC=C5

InChI

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