ethyl (1R,6R)-5-pyridazin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate

Systemtic Name: ethyl (1R,6R)-5-pyridazin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Openeye Name: ethyl (1R,6R)-5-pyridazin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate CAS Name: (1R,6R)-5-(4-pyridazinyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R)-5-pyridazin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Traditional Name: (1R,6R)-5-pyridazin-4-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethyl ester Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC=C(C1CC2)C3=CN=NC=C3

Isomeric SMILES

CCOC(=O)N1[C@@H]2CCC=C([C@H]1CC2)C3=CN=NC=C3

InChI

InChI=1S/C15H19N3O2/c1-2-20-15(19)18-12-4-3-5-13(14(18)7-6-12)11-8-9-16-17-10-11/h5,8-10,12,14H,2-4,6-7H2,1H3/t12-,14-/m1/s1