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

Systemtic Name: 3-[2-[4-[[4-(phenylmethyl)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[4-(phenylmethyl)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C28H26N4O/c33-28(14-4-16-29-19-28)15-13-23-9-12-26-25(18-23)27(31-20-30-26)32-24-10-7-22(8-11-24)17-21-5-2-1-3-6-21/h1-3,5-12,18,20,29,33H,4,14,16-17,19H2,(H,30,31,32)