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

Systemtic Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[4-(2-methoxyphenoxy)-3-methyl-phenyl]quinazolin-4-amine Openeye Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[4-(2-methoxyphenoxy)-3-methyl-phenyl]quinazolin-4-amine CAS Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[4-(2-methoxyphenoxy)-3-methylphenyl]-4-quinazolinamine IUPAC Name: 3-azabicyclo[2.2.0]hexane; 2-ethynyl-N-[4-(2-methoxyphenoxy)-3-methylphenyl]quinazolin-4-amine Traditional Name: 3-azabicyclo[2.2.0]hexane; (2-ethynylquinazolin-4-yl)-[4-(2-methoxyphenoxy)-3-methyl-phenyl]amine Formula: C29H28N4O2 MolecularWeight: 464.55822

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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=C4OC.C1CC2C1CN2

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CC=CC=C4OC.C1CC2C1CN2

InChI

InChI=1S/C24H19N3O2.C5H9N/c1-4-23-26-19-10-6-5-9-18(19)24(27-23)25-17-13-14-20(16(2)15-17)29-22-12-8-7-11-21(22)28-3;1-2-5-4(1)3-6-5/h1,5-15H,2-3H3,(H,25,26,27);4-6H,1-3H2