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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]but-2-ynamide Formula: C20H12ClFN4O MolecularWeight: 378.786883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12ClFN4O/c1-2-3-19(27)25-13-5-7-18-15(8-13)20(12(10-23)11-24-18)26-14-4-6-17(22)16(21)9-14/h4-9,11H,1H3,(H,24,26)(H,25,27)