3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(4-phenoxyphenyl)quinazolin-4-amine

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(4-phenoxyphenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(4-phenoxyphenyl)quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynylquinazolin-4-yl)-(4-phenoxyphenyl)amine Formula: C27H24N4O MolecularWeight: 420.50566

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)OC4=CC=CC=C4.C1CC2C1CN2

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)OC4=CC=CC=C4.C1CC2C1CN2

InChI

InChI=1S/C22H15N3O.C5H9N/c1-2-21-24-20-11-7-6-10-19(20)22(25-21)23-16-12-14-18(15-13-16)26-17-8-4-3-5-9-17;1-2-5-4(1)3-6-5/h1,3-15H,(H,23,24,25);4-6H,1-3H2