4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]but-3-yn-1-ol

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]but-3-yn-1-ol Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]but-3-yn-1-ol CAS Name: 4-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]-3-butyn-1-ol IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]but-3-yn-1-ol Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]but-3-yn-1-ol Formula: C18H13ClFN3O MolecularWeight: 341.766723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#CCCO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1C#CCCO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFN3O/c19-15-10-13(5-6-16(15)20)23-18-14-9-12(3-1-2-8-24)4-7-17(14)21-11-22-18/h4-7,9-11,24H,2,8H2,(H,21,22,23)