3-[3-oxidanylidene-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]-N-phenyl-propanamide

Systemtic Name: 3-[3-oxidanylidene-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]-N-phenyl-propanamide Openeye Name: 3-[4-allyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]-N-phenyl-propanamide CAS Name: 3-[3-oxo-4-prop-2-enyl-7-(trifluoromethyl)-2-quinoxalinyl]-N-phenylpropanamide IUPAC Name: 3-[3-oxo-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]-N-phenylpropanamide Traditional Name: 3-[4-allyl-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]-N-phenyl-propionamide Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18F3N3O2/c1-2-12-27-18-10-8-14(21(22,23)24)13-17(18)26-16(20(27)29)9-11-19(28)25-15-6-4-3-5-7-15/h2-8,10,13H,1,9,11-12H2,(H,25,28)