4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; 2-ethynyl-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (2-ethynylquinazolin-4-yl)-(3-methoxy-4-phenoxy-phenyl)amine Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=C4.C1CNC2C1C2

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=C4.C1CNC2C1C2

InChI

InChI=1S/C23H17N3O2.C5H9N/c1-3-22-25-19-12-8-7-11-18(19)23(26-22)24-16-13-14-20(21(15-16)27-2)28-17-9-5-4-6-10-17;1-2-6-5-3-4(1)5/h1,4-15H,2H3,(H,24,25,26);4-6H,1-3H2