3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]aniline

Systemtic Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]aniline Openeye Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[[3-(3-thienyl)phenyl]methyl]aniline CAS Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-N-[[3-(3-thiophenyl)phenyl]methyl]aniline IUPAC Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]aniline Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[[3-(3-thienyl)benzyl]amino]benzyl]amine Formula: C29H34N2S MolecularWeight: 442.65866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)NCC2=CC=CC(=C2)C3=CSC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)NCC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C29H34N2S/c1-5-31(17-8-6-7-16-29(2,3)4)22-25-12-10-14-28(20-25)30-21-24-11-9-13-26(19-24)27-15-18-32-23-27/h6,8-15,18-20,23,30H,5,17,21-22H2,1-4H3/b8-6+