(E)-N-ethyl-6,6-dimethyl-N-[[3-(pyridin-3-ylmethoxy)-5-thiophen-3-yl-phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(pyridin-3-ylmethoxy)-5-thiophen-3-yl-phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-pyridylmethoxy)-5-(3-thienyl)phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-pyridinylmethoxy)-5-(3-thiophenyl)phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(pyridin-3-ylmethoxy)-5-thiophen-3-ylphenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-(3-pyridylmethoxy)-5-(3-thienyl)benzyl]amine Formula: C28H32N2OS MolecularWeight: 444.63148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC(=C1)C2=CSC=C2)OCC3=CN=CC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC(=C1)C2=CSC=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C28H32N2OS/c1-5-30(14-8-6-7-12-28(2,3)4)20-24-16-26(25-11-15-32-22-25)18-27(17-24)31-21-23-10-9-13-29-19-23/h6,8-11,13,15-19,22H,5,14,20-21H2,1-4H3/b8-6+