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

Systemtic Name: 6-(2-piperidin-3-ylethynyl)-N-(4-pyridin-2-yloxyphenyl)quinazolin-4-amine Openeye Name: 6-[2-(3-piperidyl)ethynyl]-N-[4-(2-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 6-[2-(3-piperidinyl)ethynyl]-N-[4-(2-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 6-(2-piperidin-3-ylethynyl)-N-(4-pyridin-2-yloxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(3-piperidyl)ethynyl]quinazolin-4-yl]-[4-(2-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=CC=CC=N5

Isomeric SMILES

C1CC(CNC1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OC5=CC=CC=N5

InChI

InChI=1S/C26H23N5O/c1-2-15-28-25(5-1)32-22-11-9-21(10-12-22)31-26-23-16-19(8-13-24(23)29-18-30-26)6-7-20-4-3-14-27-17-20/h1-2,5,8-13,15-16,18,20,27H,3-4,14,17H2,(H,29,30,31)