2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)-1H-pyrazol-5-one

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)-1H-pyrazol-5-one Openeye Name: 4-(3-fluorophenyl)-2-quinuclidin-3-yl-1H-pyrazol-5-one CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)-1H-pyrazol-5-one IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-fluorophenyl)-1H-pyrazol-5-one Traditional Name: 4-(3-fluorophenyl)-1-quinuclidin-3-yl-3-pyrazolin-3-one Formula: C16H18FN3O MolecularWeight: 287.332023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C=C(C(=O)N3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN2CCC1C(C2)N3C=C(C(=O)N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C16H18FN3O/c17-13-3-1-2-12(8-13)14-9-20(18-16(14)21)15-10-19-6-4-11(15)5-7-19/h1-3,8-9,11,15H,4-7,10H2,(H,18,21)