3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[(3-pyrrol-1-ylphenyl)methyl]aniline

Systemtic Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[(3-pyrrol-1-ylphenyl)methyl]aniline Openeye Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]-N-[(3-pyrrol-1-ylphenyl)methyl]aniline CAS Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-N-[[3-(1-pyrrolyl)phenyl]methyl]aniline IUPAC Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]-N-[(3-pyrrol-1-ylphenyl)methyl]aniline Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[(3-pyrrol-1-ylbenzyl)amino]benzyl]amine Formula: C29H35N3 MolecularWeight: 425.6083

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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)N3C=CC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)NCC2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C29H35N3/c1-5-31(18-8-6-7-17-29(2,3)4)24-26-14-11-15-27(21-26)30-23-25-13-12-16-28(22-25)32-19-9-10-20-32/h6,8-16,19-22,30H,5,18,23-24H2,1-4H3/b8-6+