N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Traditional Name: N-homoveratryl-4-keto-6-(trifluoromethyl)-1H-quinoline-3-carboxamide Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H19F3N2O4/c1-29-17-6-3-12(9-18(17)30-2)7-8-25-20(28)15-11-26-16-5-4-13(21(22,23)24)10-14(16)19(15)27/h3-6,9-11H,7-8H2,1-2H3,(H,25,28)(H,26,27)