3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-methoxy-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-methoxy-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-methoxy-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-methoxy-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-7-methoxy-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynyl-7-methoxy-quinazolin-4-yl)-(3-methoxy-4-phenoxy-phenyl)amine Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C#C)NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC.C1CC2C1CN2

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C#C)NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC.C1CC2C1CN2

InChI

InChI=1S/C24H19N3O3.C5H9N/c1-4-23-26-20-15-18(28-2)11-12-19(20)24(27-23)25-16-10-13-21(22(14-16)29-3)30-17-8-6-5-7-9-17;1-2-5-4(1)3-6-5/h1,5-15H,2-3H3,(H,25,26,27);4-6H,1-3H2