(phenylmethyl) 4-[[(2-bromanylpyridin-4-yl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2-bromanylpyridin-4-yl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(2-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(2-bromo-4-pyridinyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-bromoisonicotinoyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=NC=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=NC=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O3/c21-18-12-17(6-9-22-18)19(25)23-13-15-7-10-24(11-8-15)20(26)27-14-16-4-2-1-3-5-16/h1-6,9,12,15H,7-8,10-11,13-14H2,(H,23,25)