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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-4-(dibutylamino)but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-(dibutylamino)but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-4-(dibutylamino)-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-(dibutylamino)but-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-4-(dibutylamino)but-2-ynamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClFN5O/c1-3-5-13-33(14-6-4-2)15-7-8-25(34)31-19-10-12-24-21(16-19)26(30-18-29-24)32-20-9-11-23(28)22(27)17-20/h9-12,16-18H,3-6,13-15H2,1-2H3,(H,31,34)(H,29,30,32)