1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2,3-dione

Systemtic Name: 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2,3-dione Openeye Name: 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2,3-dione CAS Name: 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2,3-dione IUPAC Name: 1-phenethyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrazine-2,3-dione Traditional Name: 1-phenethyl-4-[3-(trifluoromethyl)benzyl]pyrazine-2,3-quinone Formula: C20H17F3N2O2 MolecularWeight: 374.35639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=CN(C(=O)C2=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=CN(C(=O)C2=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2/c21-20(22,23)17-8-4-7-16(13-17)14-25-12-11-24(18(26)19(25)27)10-9-15-5-2-1-3-6-15/h1-8,11-13H,9-10,14H2