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

Systemtic Name: 3-[2-[4-[(3-phenylmethoxyphenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 3-[2-[4-(3-benzyloxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 3-[2-[4-(3-phenylmethoxyanilino)-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 3-[2-[4-(3-phenylmethoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-(3-benzoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C27H24N4O2/c32-27(13-14-28-18-27)12-11-20-9-10-25-24(15-20)26(30-19-29-25)31-22-7-4-8-23(16-22)33-17-21-5-2-1-3-6-21/h1-10,15-16,19,28,32H,13-14,17-18H2,(H,29,30,31)