4-azabicyclo[3.1.0]hexane; N-ethynyl-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; N-ethynyl-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; N-ethynyl-N-[4-(3-pyridyloxy)phenyl]quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; N-ethynyl-N-[4-(3-pyridinyloxy)phenyl]-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; N-ethynyl-N-(4-pyridin-3-yloxyphenyl)quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; ethynyl-[4-(3-pyridyloxy)phenyl]-quinazolin-4-yl-amine Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

C#CN(C1=CC=C(C=C1)OC2=CN=CC=C2)C3=NC=NC4=CC=CC=C43.C1CNC2C1C2

Isomeric SMILES

C#CN(C1=CC=C(C=C1)OC2=CN=CC=C2)C3=NC=NC4=CC=CC=C43.C1CNC2C1C2

InChI

InChI=1S/C21H14N4O.C5H9N/c1-2-25(21-19-7-3-4-8-20(19)23-15-24-21)16-9-11-17(12-10-16)26-18-6-5-13-22-14-18;1-2-6-5-3-4(1)5/h1,3-15H;4-6H,1-3H2