N-(3-fluoranyl-4-pyridin-3-yloxy-phenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-fluoranyl-4-pyridin-3-yloxy-phenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-fluoro-4-(3-pyridyloxy)phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-fluoro-4-(3-pyridinyloxy)phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-fluoro-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-fluoro-4-(3-pyridyloxy)phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C26H22FN5O MolecularWeight: 439.484183

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CN=CC=C5)F

Isomeric SMILES

C1CNCCC1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CN=CC=C5)F

InChI

InChI=1S/C26H22FN5O/c27-23-15-20(6-8-25(23)33-21-2-1-11-29-16-21)32-26-22-14-19(5-7-24(22)30-17-31-26)4-3-18-9-12-28-13-10-18/h1-2,5-8,11,14-18,28H,9-10,12-13H2,(H,30,31,32)