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

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)-1H-pyrazol-5-one Openeye Name: 4-(4-chlorophenyl)-2-quinuclidin-3-yl-1H-pyrazol-5-one CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)-1H-pyrazol-5-one IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-chlorophenyl)-1H-pyrazol-5-one Traditional Name: 4-(4-chlorophenyl)-1-quinuclidin-3-yl-3-pyrazolin-3-one Formula: C16H18ClN3O MolecularWeight: 303.78662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O/c17-13-3-1-11(2-4-13)14-9-20(18-16(14)21)15-10-19-7-5-12(15)6-8-19/h1-4,9,12,15H,5-8,10H2,(H,18,21)