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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-6-(dimethylamino)hex-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-6-(dimethylamino)hex-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-6-(dimethylamino)-2-hexynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-6-(dimethylamino)hex-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-6-(dimethylamino)hex-2-ynamide Formula: C22H21ClFN5O MolecularWeight: 425.886443

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(C)CCCC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H21ClFN5O/c1-29(2)11-5-3-4-6-21(30)27-15-8-10-20-17(12-15)22(26-14-25-20)28-16-7-9-19(24)18(23)13-16/h7-10,12-14H,3,5,11H2,1-2H3,(H,27,30)(H,25,26,28)