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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-4-morpholin-4-yl-but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-morpholino-but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-4-(4-morpholinyl)-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-morpholin-4-ylbut-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-morpholino-but-2-ynamide Formula: C22H19ClFN5O2 MolecularWeight: 439.869963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1CC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H19ClFN5O2/c23-18-13-16(3-5-19(18)24)28-22-17-12-15(4-6-20(17)25-14-26-22)27-21(30)2-1-7-29-8-10-31-11-9-29/h3-6,12-14H,7-11H2,(H,27,30)(H,25,26,28)