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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C(C1=O)N2CCCC(CC2)COC3=CC=CC=C3F

Isomeric SMILES

CN1C=CN=C(C1=O)N2CCCC(CC2)COC3=CC=CC=C3F

InChI

InChI=1S/C18H22FN3O2/c1-21-12-9-20-17(18(21)23)22-10-4-5-14(8-11-22)13-24-16-7-3-2-6-15(16)19/h2-3,6-7,9,12,14H,4-5,8,10-11,13H2,1H3