4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]pyridin-2-amine

Systemtic Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]pyridin-2-amine Openeye Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]-N-[[3-(3-thienyl)phenyl]methyl]pyridin-2-amine CAS Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propylamino]methyl]-N-[[3-(3-thiophenyl)phenyl]methyl]-2-pyridinamine IUPAC Name: 4-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propylamino]methyl]-N-[(3-thiophen-3-ylphenyl)methyl]pyridin-2-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-[[2-[[3-(3-thienyl)benzyl]amino]-4-pyridyl]methyl]amine Formula: C29H35N3S MolecularWeight: 457.6733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3S/c1-5-16-32(17-8-6-7-14-29(2,3)4)22-25-12-15-30-28(20-25)31-21-24-10-9-11-26(19-24)27-13-18-33-23-27/h6,8-13,15,18-20,23H,5,16-17,21-22H2,1-4H3,(H,30,31)/b8-6+