6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine; 1,4-diazabicyclo[2.2.0]hexane

Systemtic Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine; 1,4-diazabicyclo[2.2.0]hexane Openeye Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine; 1,4-diazabicyclo[2.2.0]hexane CAS Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine; 1,4-diazabicyclo[2.2.0]hexane IUPAC Name: 6-but-1-ynyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine; 1,4-diazabicyclo[2.2.0]hexane Traditional Name: (6-but-1-ynylquinazolin-4-yl)-(3-methyl-4-phenoxy-phenyl)amine; 1,4-diazabicyclo[2.2.0]hexane Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)C.C1CN2N1CC2

Isomeric SMILES

CCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)C.C1CN2N1CC2

InChI

InChI=1S/C25H21N3O.C4H8N2/c1-3-4-8-19-11-13-23-22(16-19)25(27-17-26-23)28-20-12-14-24(18(2)15-20)29-21-9-6-5-7-10-21;1-2-6-4-3-5(1)6/h5-7,9-17H,3H2,1-2H3,(H,26,27,28);1-4H2