N-(3,4-dimethylphenyl)-2-[2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]butanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[2-oxidanylidene-3-(trifluoromethyl)quinoxalin-1-yl]butanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide CAS Name: N-(3,4-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-quinoxalinyl]butanamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide Traditional Name: N-(3,4-dimethylphenyl)-2-[2-keto-3-(trifluoromethyl)quinoxalin-1-yl]butyramide Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)C)N2C3=CC=CC=C3N=C(C2=O)C(F)(F)F

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)C)N2C3=CC=CC=C3N=C(C2=O)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c1-4-16(19(28)25-14-10-9-12(2)13(3)11-14)27-17-8-6-5-7-15(17)26-18(20(27)29)21(22,23)24/h5-11,16H,4H2,1-3H3,(H,25,28)