5-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(quinuclidin-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(quinuclidin-3-ylamino)phenyl]-3-pyrazolin-3-one Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=CC=C(C=C3)C4=CC(=O)NN4

Isomeric SMILES

C1CN2CCC1C(C2)NC3=CC=C(C=C3)C4=CC(=O)NN4

InChI

InChI=1S/C16H20N4O/c21-16-9-14(18-19-16)11-1-3-13(4-2-11)17-15-10-20-7-5-12(15)6-8-20/h1-4,9,12,15,17H,5-8,10H2,(H2,18,19,21)