6-(2-piperidin-3-ylethynyl)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine

Systemtic Name: 6-(2-piperidin-3-ylethynyl)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Openeye Name: 6-[2-(3-piperidyl)ethynyl]-N-[4-(3-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 6-[2-(3-piperidinyl)ethynyl]-N-[4-(3-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 6-(2-piperidin-3-ylethynyl)-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(3-piperidyl)ethynyl]quinazolin-4-yl]-[4-(3-pyridyloxy)phenyl]amine Formula: C26H23N5O MolecularWeight: 421.49372

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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)OC5=CN=CC=C5

Isomeric SMILES

C1CC(CNC1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CN=CC=C5

InChI

InChI=1S/C26H23N5O/c1-3-20(16-27-13-1)6-5-19-7-12-25-24(15-19)26(30-18-29-25)31-21-8-10-22(11-9-21)32-23-4-2-14-28-17-23/h2,4,7-12,14-15,17-18,20,27H,1,3,13,16H2,(H,29,30,31)