1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-pyrazol-1-yl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-pyrazol-1-yl-ethanoate Openeye Name: quinuclidin-3-yl 2-phenyl-2-pyrazol-1-yl-acetate CAS Name: 2-phenyl-2-(1-pyrazolyl)acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-pyrazol-1-ylacetate Traditional Name: 2-phenyl-2-pyrazol-1-yl-acetic acid quinuclidin-3-yl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C18H21N3O2/c22-18(23-16-13-20-11-7-14(16)8-12-20)17(21-10-4-9-19-21)15-5-2-1-3-6-15/h1-6,9-10,14,16-17H,7-8,11-13H2