3-[[4-[(2-fluoranylphenoxy)methyl]azepan-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[(2-fluoranylphenoxy)methyl]azepan-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-[(2-fluorophenoxy)methyl]azepan-1-yl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-[(2-fluorophenoxy)methyl]-1-azepanyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-[(2-fluorophenoxy)methyl]azepan-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-[(2-fluorophenoxy)methyl]azepan-1-yl]methyl]-1H-pyrazin-2-one Formula: C18H22FN3O2 MolecularWeight: 331.384583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=NC=CNC2=O)COC3=CC=CC=C3F

Isomeric SMILES

C1CC(CCN(C1)CC2=NC=CNC2=O)COC3=CC=CC=C3F

InChI

InChI=1S/C18H22FN3O2/c19-15-5-1-2-6-17(15)24-13-14-4-3-10-22(11-7-14)12-16-18(23)21-9-8-20-16/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,21,23)