N-(3-chloranyl-4-phenoxy-phenyl)-2-ethynyl-quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-2-ethynyl-quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-2-ethynyl-quinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane CAS Name: N-(3-chloro-4-phenoxyphenyl)-2-ethynyl-4-quinazolinamine; 6-oxa-3-azabicyclo[3.1.0]hexane IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-2-ethynylquinazolin-4-amine; 6-oxa-3-azabicyclo[3.1.0]hexane Traditional Name: (3-chloro-4-phenoxy-phenyl)-(2-ethynylquinazolin-4-yl)amine; 6-oxa-3-azabicyclo[3.1.0]hexane Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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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.C1C2C(O2)CN1

Isomeric SMILES

C#CC1=NC2=CC=CC=C2C(=N1)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl.C1C2C(O2)CN1

InChI

InChI=1S/C22H14ClN3O.C4H7NO/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;1-3-4(6-3)2-5-1/h1,3-14H,(H,24,25,26);3-5H,1-2H2