3-[[4-[2-(2-fluorophenyl)ethynyl]-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[2-(2-fluorophenyl)ethynyl]-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-[2-(2-fluorophenyl)ethynyl]-4-hydroxy-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-[2-(2-fluorophenyl)ethynyl]-4-hydroxy-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-[2-(2-fluorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-[2-(2-fluorophenyl)ethynyl]-4-hydroxy-piperidino]methyl]-1H-pyrazin-2-one Formula: C18H18FN3O2 MolecularWeight: 327.352823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#CC2=CC=CC=C2F)O)CC3=NC=CNC3=O

Isomeric SMILES

C1CN(CCC1(C#CC2=CC=CC=C2F)O)CC3=NC=CNC3=O

InChI

InChI=1S/C18H18FN3O2/c19-15-4-2-1-3-14(15)5-6-18(24)7-11-22(12-8-18)13-16-17(23)21-10-9-20-16/h1-4,9-10,24H,7-8,11-13H2,(H,21,23)