(E)-N,6,6-trimethyl-N-[[3-(2-phenylethynyl)phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N,6,6-trimethyl-N-[[3-(2-phenylethynyl)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N,6,6-trimethyl-N-[[3-(2-phenylethynyl)phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N,6,6-trimethyl-N-[[3-(2-phenylethynyl)phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N,6,6-trimethyl-N-[[3-(2-phenylethynyl)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[3-(2-phenylethynyl)benzyl]amine Formula: C25H27N MolecularWeight: 341.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC=CC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C25H27N/c1-25(2,3)18-9-6-10-19-26(4)21-24-15-11-14-23(20-24)17-16-22-12-7-5-8-13-22/h5-8,10-15,20H,19,21H2,1-4H3/b10-6+