3-(2-cyclopropylethynyl)-4-(phenylmethyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one

Systemtic Name: 3-(2-cyclopropylethynyl)-4-(phenylmethyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one Openeye Name: 4-benzyl-3-(2-cyclopropylethynyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one CAS Name: 3-(2-cyclopropylethynyl)-4-(phenylmethyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one IUPAC Name: 4-benzyl-3-(2-cyclopropylethynyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one Traditional Name: 4-benzyl-3-(2-cyclopropylethynyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one Formula: C21H17F3N2O MolecularWeight: 370.36769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C(=O)NC3=CC=CC=C3N2CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(C(=O)NC3=CC=CC=C3N2CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O/c22-21(23,24)20(13-12-15-10-11-15)19(27)25-17-8-4-5-9-18(17)26(20)14-16-6-2-1-3-7-16/h1-9,15H,10-11,14H2,(H,25,27)