4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]-2-methyl-but-3-yn-2-ol Formula: C19H15ClFN3O MolecularWeight: 355.793303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C19H15ClFN3O/c1-19(2,25)8-7-12-3-6-17-14(9-12)18(23-11-22-17)24-13-4-5-16(21)15(20)10-13/h3-6,9-11,25H,1-2H3,(H,22,23,24)