N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-phenylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-phenylethynyl)quinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-phenylethynyl)quinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(2-phenylethynyl)-4-quinazolinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(2-phenylethynyl)quinazolin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(2-phenylethynyl)quinazolin-4-yl]amine Formula: C22H13ClFN3 MolecularWeight: 373.810123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H13ClFN3/c23-19-13-17(9-10-20(19)24)27-22-18-12-16(8-11-21(18)25-14-26-22)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,25,26,27)