1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(1H-pyrazol-4-yl)ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(1H-pyrazol-4-yl)ethanoate Openeye Name: quinuclidin-3-yl 2-phenyl-2-(1H-pyrazol-4-yl)acetate CAS Name: 2-phenyl-2-(1H-pyrazol-4-yl)acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-phenyl-2-(1H-pyrazol-4-yl)acetate Traditional Name: 2-phenyl-2-(1H-pyrazol-4-yl)acetic acid quinuclidin-3-yl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CNN=C4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CNN=C4

InChI

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