tert-butyl (1R,4R)-5-pyridin-3-yl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: tert-butyl (1R,4R)-5-pyridin-3-yl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate Openeye Name: tert-butyl (1R,4R)-5-(3-pyridyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate CAS Name: (1R,4R)-5-(3-pyridinyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4R)-5-pyridin-3-yl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate Traditional Name: (1R,4R)-5-(3-pyridyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CCC1CN2C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1CN2C3=CN=CC=C3

InChI

InChI=1S/C16H23N3O2/c1-16(2,3)21-15(20)19-11-13-6-7-14(19)10-18(13)12-5-4-8-17-9-12/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3/t13-,14-/m1/s1