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

Systemtic Name: 4-azabicyclo[3.1.0]hexane; N-(3-chloranyl-4-phenoxy-phenyl)-2-ethynyl-quinazolin-4-amine Openeye Name: 4-azabicyclo[3.1.0]hexane; N-(3-chloro-4-phenoxy-phenyl)-2-ethynyl-quinazolin-4-amine CAS Name: 4-azabicyclo[3.1.0]hexane; N-(3-chloro-4-phenoxyphenyl)-2-ethynyl-4-quinazolinamine IUPAC Name: 4-azabicyclo[3.1.0]hexane; N-(3-chloro-4-phenoxyphenyl)-2-ethynylquinazolin-4-amine Traditional Name: 4-azabicyclo[3.1.0]hexane; (3-chloro-4-phenoxy-phenyl)-(2-ethynylquinazolin-4-yl)amine Formula: C27H23ClN4O MolecularWeight: 454.95072

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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)Cl.C1CNC2C1C2

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl.C1CNC2C1C2

InChI

InChI=1S/C22H14ClN3O.C5H9N/c1-2-21-25-19-11-7-6-10-17(19)22(26-21)24-15-12-13-20(18(23)14-15)27-16-8-4-3-5-9-16;1-2-6-5-3-4(1)5/h1,3-14H,(H,24,25,26);4-6H,1-3H2