(phenylmethyl) 4-[[(3-azanylpyridin-4-yl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(3-azanylpyridin-4-yl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(3-aminopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(3-amino-4-pyridinyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(3-aminopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-aminoisonicotinoyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c21-18-13-22-9-6-17(18)19(25)23-12-15-7-10-24(11-8-15)20(26)27-14-16-4-2-1-3-5-16/h1-6,9,13,15H,7-8,10-12,14,21H2,(H,23,25)