N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]amino]quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]amino]quinolin-6-yl]but-2-ynamide Openeye Name: N-[3-cyano-4-[3-(trifluoromethyl)anilino]-6-quinolyl]but-2-ynamide CAS Name: N-[3-cyano-4-[3-(trifluoromethyl)anilino]-6-quinolinyl]-2-butynamide IUPAC Name: N-[3-cyano-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]but-2-ynamide Traditional Name: N-[3-cyano-4-[3-(trifluoromethyl)anilino]-6-quinolyl]but-2-ynamide Formula: C21H13F3N4O MolecularWeight: 394.34933

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C(=CN=C2C=C1)C#N)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H13F3N4O/c1-2-4-19(29)27-16-7-8-18-17(10-16)20(13(11-25)12-26-18)28-15-6-3-5-14(9-15)21(22,23)24/h3,5-10,12H,1H3,(H,26,28)(H,27,29)