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

Systemtic Name: 4-[2-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Openeye Name: 4-[2-[4-(4-benzyloxyanilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 4-[2-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]ethynyl]-4-oxanol IUPAC Name: 4-[2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol Traditional Name: 4-[2-[4-(4-benzoxyanilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C28H25N3O3/c32-28(14-16-33-17-15-28)13-12-21-6-11-26-25(18-21)27(30-20-29-26)31-23-7-9-24(10-8-23)34-19-22-4-2-1-3-5-22/h1-11,18,20,32H,14-17,19H2,(H,29,30,31)