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

Systemtic Name: (phenylmethyl) 4-[[[2-(methylaminomethyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[[2-(methylaminomethyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(methylaminomethyl)-4-pyridinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[2-(methylaminomethyl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(methylaminomethyl)-4-pyridyl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CNCC1=NC=CC(=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-22-15-20-13-19(7-10-23-20)24-14-17-8-11-25(12-9-17)21(26)27-16-18-5-3-2-4-6-18/h2-7,10,13,17,22H,8-9,11-12,14-16H2,1H3,(H,23,24)