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

Systemtic Name: 3-(2-cyclopropylethynyl)-4-(3-methylbutyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one Openeye Name: 3-(2-cyclopropylethynyl)-4-isopentyl-3-(trifluoromethyl)-1H-quinoxalin-2-one CAS Name: 3-(2-cyclopropylethynyl)-4-(3-methylbutyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one IUPAC Name: 3-(2-cyclopropylethynyl)-4-(3-methylbutyl)-3-(trifluoromethyl)-1H-quinoxalin-2-one Traditional Name: 3-(2-cyclopropylethynyl)-4-isoamyl-3-(trifluoromethyl)-1H-quinoxalin-2-one Formula: C19H21F3N2O MolecularWeight: 350.37805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2NC(=O)C1(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2NC(=O)C1(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O/c1-13(2)10-12-24-16-6-4-3-5-15(16)23-17(25)18(24,19(20,21)22)11-9-14-7-8-14/h3-6,13-14H,7-8,10,12H2,1-2H3,(H,23,25)