(E)-N-[(3-bromanyl-5-fluoranyl-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-[(3-bromanyl-5-fluoranyl-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-[(3-bromo-5-fluoro-phenyl)methyl]-N,6,6-trimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-[(3-bromo-5-fluorophenyl)methyl]-N,6,6-trimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-[(3-bromo-5-fluorophenyl)methyl]-N,6,6-trimethylhept-2-en-4-yn-1-amine Traditional Name: (3-bromo-5-fluoro-benzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C17H21BrFN MolecularWeight: 338.257743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=CC(=C1)Br)F

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=CC(=C1)Br)F

InChI

InChI=1S/C17H21BrFN/c1-17(2,3)8-6-5-7-9-20(4)13-14-10-15(18)12-16(19)11-14/h5,7,10-12H,9,13H2,1-4H3/b7-5+