ethanedioic acid; 3-[[3-[(2-fluoranylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: ethanedioic acid; 3-[[3-[(2-fluoranylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one; oxalic acid CAS Name: 3-[[3-[(2-fluorophenoxy)methyl]-1-pyrrolidinyl]methyl]-1H-pyrazin-2-one; oxalic acid IUPAC Name: 3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one; oxalic acid Traditional Name: 3-[[3-[(2-fluorophenoxy)methyl]pyrrolidino]methyl]-1H-pyrazin-2-one; oxalic acid Formula: C18H20FN3O6 MolecularWeight: 393.366303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1COC2=CC=CC=C2F)CC3=NC=CNC3=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC1COC2=CC=CC=C2F)CC3=NC=CNC3=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18FN3O2.C2H2O4/c17-13-3-1-2-4-15(13)22-11-12-5-8-20(9-12)10-14-16(21)19-7-6-18-14;3-1(4)2(5)6/h1-4,6-7,12H,5,8-11H2,(H,19,21);(H,3,4)(H,5,6)