tert-butyl 3-(3-chloranylpyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl 3-(3-chloranylpyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl 3-(3-chloro-2-pyridyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-(3-chloro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-chloropyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-(3-chloro-2-pyridyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C16H22ClN3O2 MolecularWeight: 323.81778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C16H22ClN3O2/c1-16(2,3)22-15(21)20-11-6-7-12(20)10-19(9-11)14-13(17)5-4-8-18-14/h4-5,8,11-12H,6-7,9-10H2,1-3H3