3-[2-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(4-benzyloxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(4-benzoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H26N4O2 MolecularWeight: 450.53164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C28H26N4O2/c33-28(14-4-16-29-19-28)15-13-21-7-12-26-25(17-21)27(31-20-30-26)32-23-8-10-24(11-9-23)34-18-22-5-2-1-3-6-22/h1-3,5-12,17,20,29,33H,4,14,16,18-19H2,(H,30,31,32)