N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-7-morpholin-4-yl-hept-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-7-morpholin-4-yl-hept-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-7-morpholino-hept-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-7-(4-morpholinyl)-2-heptynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-7-morpholin-4-ylhept-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-7-morpholino-hept-2-ynamide Formula: C25H25ClFN5O2 MolecularWeight: 481.949703

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1CCCCC#CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H25ClFN5O2/c26-21-16-19(6-8-22(21)27)31-25-20-15-18(7-9-23(20)28-17-29-25)30-24(33)5-3-1-2-4-10-32-11-13-34-14-12-32/h6-9,15-17H,1-2,4,10-14H2,(H,30,33)(H,28,29,31)