4-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol

Systemtic Name: 4-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Openeye Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 4-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-oxanol IUPAC Name: 4-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol Traditional Name: 4-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c1-33-26-18-21(8-10-25(26)35-22-5-3-2-4-6-22)31-27-23-17-20(7-9-24(23)29-19-30-27)11-12-28(32)13-15-34-16-14-28/h2-10,17-19,32H,13-16H2,1H3,(H,29,30,31)