1-phenylethanone; (E)-N,6,6-trimethyl-N-propan-2-yl-hept-2-en-4-yn-1-amine

Systemtic Name: 1-phenylethanone; (E)-N,6,6-trimethyl-N-propan-2-yl-hept-2-en-4-yn-1-amine Openeye Name: (E)-N-isopropyl-N,6,6-trimethyl-hept-2-en-4-yn-1-amine; 1-phenylethanone CAS Name: 1-phenylethanone; (E)-N,6,6-trimethyl-N-propan-2-yl-1-hept-2-en-4-ynamine IUPAC Name: 1-phenylethanone; (E)-N,6,6-trimethyl-N-propan-2-ylhept-2-en-4-yn-1-amine Traditional Name: acetophenone; [(E)-6,6-dimethylhept-2-en-4-ynyl]-isopropyl-methyl-amine Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N.C8H8O/c1-12(2)14(6)11-9-7-8-10-13(3,4)5;1-7(9)8-5-3-2-4-6-8/h7,9,12H,11H2,1-6H3;2-6H,1H3/b9-7+;