6-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]morpholin-3-one

Systemtic Name: 6-[2-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]morpholin-3-one Openeye Name: 6-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one CAS Name: 6-[2-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-morpholinone IUPAC Name: 6-[2-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]ethynyl]morpholin-3-one Traditional Name: 6-[2-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one Formula: C26H19ClN4O3 MolecularWeight: 470.90706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC(=O)N1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1C(OCC(=O)N1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H19ClN4O3/c27-22-13-18(8-11-24(22)34-19-4-2-1-3-5-19)31-26-21-12-17(7-10-23(21)29-16-30-26)6-9-20-14-28-25(32)15-33-20/h1-5,7-8,10-13,16,20H,14-15H2,(H,28,32)(H,29,30,31)