N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-morpholin-4-yl-quinolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-morpholin-4-yl-quinolin-6-yl]but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-morpholino-6-quinolyl]but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-(4-morpholinyl)-6-quinolinyl]-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-morpholin-4-ylquinolin-6-yl]but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-morpholino-6-quinolyl]but-2-ynamide Formula: C24H19ClFN5O2 MolecularWeight: 463.891363

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl)N4CCOCC4

Isomeric SMILES

CC#CC(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl)N4CCOCC4

InChI

InChI=1S/C24H19ClFN5O2/c1-2-3-23(32)30-21-11-17-20(12-22(21)31-6-8-33-9-7-31)28-14-15(13-27)24(17)29-16-4-5-19(26)18(25)10-16/h4-5,10-12,14H,6-9H2,1H3,(H,28,29)(H,30,32)