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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-quinolin-6-yl]-4-(dimethylamino)but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-(dimethylamino)but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-6-quinolinyl]-4-(dimethylamino)-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-(dimethylamino)but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-(dimethylamino)but-2-ynamide Formula: C22H17ClFN5O MolecularWeight: 421.854683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClFN5O/c1-29(2)9-3-4-21(30)27-15-6-8-20-17(10-15)22(14(12-25)13-26-20)28-16-5-7-19(24)18(23)11-16/h5-8,10-11,13H,9H2,1-2H3,(H,26,28)(H,27,30)