pyridin-2-ylmethyl 3,4,5,6-tetrahydro-2H-azepine-7-carboxylate

Systemtic Name: pyridin-2-ylmethyl 3,4,5,6-tetrahydro-2H-azepine-7-carboxylate Openeye Name: 2-pyridylmethyl 3,4,5,6-tetrahydro-2H-azepine-7-carboxylate CAS Name: 3,4,5,6-tetrahydro-2H-azepine-7-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3,4,5,6-tetrahydro-2H-azepine-7-carboxylate Traditional Name: 3,4,5,6-tetrahydro-2H-azepine-7-carboxylic acid 2-pyridylmethyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C(=O)OCC2=CC=CC=N2

Isomeric SMILES

C1CCC(=NCC1)C(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C13H16N2O2/c16-13(12-7-2-1-4-9-15-12)17-10-11-6-3-5-8-14-11/h3,5-6,8H,1-2,4,7,9-10H2