1-phenylethanone; (E)-N,N,6,6-tetramethylhept-2-en-4-yn-1-amine

Systemtic Name: 1-phenylethanone; (E)-N,N,6,6-tetramethylhept-2-en-4-yn-1-amine Openeye Name: 1-phenylethanone; (E)-N,N,6,6-tetramethylhept-2-en-4-yn-1-amine CAS Name: 1-phenylethanone; (E)-N,N,6,6-tetramethyl-1-hept-2-en-4-ynamine IUPAC Name: 1-phenylethanone; (E)-N,N,6,6-tetramethylhept-2-en-4-yn-1-amine Traditional Name: acetophenone; [(E)-6,6-dimethylhept-2-en-4-ynyl]-dimethyl-amine Formula: C19H27NO MolecularWeight: 285.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.CC(C)(C)C#CC=CCN(C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1.CC(C)(C)C#C/C=C/CN(C)C

InChI

InChI=1S/C11H19N.C8H8O/c1-11(2,3)9-7-6-8-10-12(4)5;1-7(9)8-5-3-2-4-6-8/h6,8H,10H2,1-5H3;2-6H,1H3/b8-6+;