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

Systemtic Name: 4-[2-[4-[(4-phenoxyphenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol hydrochloride Openeye Name: 4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol hydrochloride CAS Name: 4-[2-[4-(4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-oxanol hydrochloride IUPAC Name: 4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol hydrochloride Traditional Name: 4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol hydrochloride Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5)O.Cl

Isomeric SMILES

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=C5)O.Cl

InChI

InChI=1S/C27H23N3O3.ClH/c31-27(14-16-32-17-15-27)13-12-20-6-11-25-24(18-20)26(29-19-28-25)30-21-7-9-23(10-8-21)33-22-4-2-1-3-5-22;/h1-11,18-19,31H,14-17H2,(H,28,29,30);1H