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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-7-(dimethylamino)hept-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-7-(dimethylamino)hept-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-7-(dimethylamino)-2-heptynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-7-(dimethylamino)hept-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-7-(dimethylamino)hept-2-ynamide Formula: C23H23ClFN5O MolecularWeight: 439.913023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O/c1-30(2)12-6-4-3-5-7-22(31)28-16-9-11-21-18(13-16)23(27-15-26-21)29-17-8-10-20(25)19(24)14-17/h8-11,13-15H,3-4,6,12H2,1-2H3,(H,28,31)(H,26,27,29)