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

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynylquinazolin-4-yl)-(3-methyl-4-phenoxy-phenyl)amine Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=C4.C1CC2C1CN2

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=C4.C1CC2C1CN2

InChI

InChI=1S/C23H17N3O.C5H9N/c1-3-22-25-20-12-8-7-11-19(20)23(26-22)24-17-13-14-21(16(2)15-17)27-18-9-5-4-6-10-18;1-2-5-4(1)3-6-5/h1,4-15H,2H3,(H,24,25,26);4-6H,1-3H2