tert-butyl (1S,4S)-5-pyridazin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl (1S,4S)-5-pyridazin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl (1S,4S)-5-pyridazin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1S,4S)-5-(3-pyridazinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S)-5-pyridazin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1S,4S)-5-pyridazin-3-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18-9-10-7-11(18)8-17(10)12-5-4-6-15-16-12/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m0/s1