(phenylmethyl) 4-[[[2-(dimethylcarbamoyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[2-(dimethylcarbamoyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[[2-(dimethylcarbamoyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[dimethylamino(oxo)methyl]-4-pyridinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[2-(dimethylcarbamoyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(dimethylcarbamoyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-25(2)21(27)20-14-19(8-11-23-20)24-15-17-9-12-26(13-10-17)22(28)29-16-18-6-4-3-5-7-18/h3-8,11,14,17H,9-10,12-13,15-16H2,1-2H3,(H,23,24)