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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-quinolin-6-yl]-4-methoxy-but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-methoxy-but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-6-quinolinyl]-4-methoxy-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-methoxybut-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-6-quinolyl]-4-methoxy-but-2-ynamide Formula: C21H14ClFN4O2 MolecularWeight: 408.812863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClFN4O2/c1-29-8-2-3-20(28)26-14-5-7-19-16(9-14)21(13(11-24)12-25-19)27-15-4-6-18(23)17(22)10-15/h4-7,9-10,12H,8H2,1H3,(H,25,27)(H,26,28)