N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-8-(trifluoromethyloxy)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-8-(trifluoromethyloxy)-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide Formula: C21H14ClF3N2O4 MolecularWeight: 450.79507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3OC(F)(F)F)C#CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3OC(F)(F)F)C#CCO)Cl

InChI

InChI=1S/C21H14ClF3N2O4/c22-14-5-3-12(4-6-14)10-27-20(30)16-11-26-18-15(19(16)29)8-13(2-1-7-28)9-17(18)31-21(23,24)25/h3-6,8-9,11,28H,7,10H2,(H,26,29)(H,27,30)