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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-quinolin-6-yl]-4-(diethylamino)but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-(diethylamino)but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-6-quinolinyl]-4-(diethylamino)-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-(diethylamino)but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-(diethylamino)but-2-ynamide Formula: C24H21ClFN5O MolecularWeight: 449.907843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClFN5O/c1-3-31(4-2)11-5-6-23(32)29-17-8-10-22-19(12-17)24(16(14-27)15-28-22)30-18-7-9-21(26)20(25)13-18/h7-10,12-13,15H,3-4,11H2,1-2H3,(H,28,30)(H,29,32)