(E)-N-ethyl-N-[[3-[(3-imidazol-1-ylphenyl)methoxy]phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-N-[[3-[(3-imidazol-1-ylphenyl)methoxy]phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-N-[[3-[(3-imidazol-1-ylphenyl)methoxy]phenyl]methyl]-6,6-dimethyl-hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-N-[[3-[[3-(1-imidazolyl)phenyl]methoxy]phenyl]methyl]-6,6-dimethyl-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-N-[[3-[(3-imidazol-1-ylphenyl)methoxy]phenyl]methyl]-6,6-dimethylhept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-(3-imidazol-1-ylbenzyl)oxybenzyl]amine Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CC=C2)N3C=CN=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CC=C2)N3C=CN=C3

InChI

InChI=1S/C28H33N3O/c1-5-30(17-8-6-7-15-28(2,3)4)21-24-11-10-14-27(20-24)32-22-25-12-9-13-26(19-25)31-18-16-29-23-31/h6,8-14,16,18-20,23H,5,17,21-22H2,1-4H3/b8-6+