N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-5-(dimethylamino)-2-pentynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-5-(dimethylamino)pent-2-ynamide Formula: C21H19ClFN5O MolecularWeight: 411.859863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN5O/c1-28(2)10-4-3-5-20(29)26-14-7-9-19-16(11-14)21(25-13-24-19)27-15-6-8-18(23)17(22)12-15/h6-9,11-13H,4,10H2,1-2H3,(H,26,29)(H,24,25,27)