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

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-4-phenyl-1H-pyrazol-5-one Openeye Name: 4-phenyl-2-(quinuclidin-3-ylmethyl)-1H-pyrazol-5-one CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-4-phenyl-1H-pyrazol-5-one IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-4-phenyl-1H-pyrazol-5-one Traditional Name: 4-phenyl-1-(quinuclidin-3-ylmethyl)-3-pyrazolin-3-one Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)CN3C=C(C(=O)N3)C4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)CN3C=C(C(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C17H21N3O/c21-17-16(14-4-2-1-3-5-14)12-20(18-17)11-15-10-19-8-6-13(15)7-9-19/h1-5,12-13,15H,6-11H2,(H,18,21)