tert-butyl (1S,4S)-5-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl (1S,4S)-5-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl (1S,4S)-5-(4-pyridyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1S,4S)-5-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S)-5-pyridin-4-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1S,4S)-5-(4-pyridyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-15(2,3)20-14(19)18-10-12-8-13(18)9-17(12)11-4-6-16-7-5-11/h4-7,12-13H,8-10H2,1-3H3/t12-,13-/m0/s1