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

Systemtic Name: 3-[[4-[2-(2-methylphenyl)ethynyl]-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-hydroxy-4-[2-(o-tolyl)ethynyl]-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-hydroxy-4-[2-(2-methylphenyl)ethynyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-hydroxy-4-[2-(2-methylphenyl)ethynyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-hydroxy-4-[2-(o-tolyl)ethynyl]piperidino]methyl]-1H-pyrazin-2-one Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC2(CCN(CC2)CC3=NC=CNC3=O)O

Isomeric SMILES

CC1=CC=CC=C1C#CC2(CCN(CC2)CC3=NC=CNC3=O)O

InChI

InChI=1S/C19H21N3O2/c1-15-4-2-3-5-16(15)6-7-19(24)8-12-22(13-9-19)14-17-18(23)21-11-10-20-17/h2-5,10-11,24H,8-9,12-14H2,1H3,(H,21,23)