(Z)-2-bromanyl-1-(4-methylphenyl)-3-(2-phenylethynyl)hept-2-en-1-one

Systemtic Name: (Z)-2-bromanyl-1-(4-methylphenyl)-3-(2-phenylethynyl)hept-2-en-1-one Openeye Name: (Z)-2-bromo-3-(2-phenylethynyl)-1-(p-tolyl)hept-2-en-1-one CAS Name: (Z)-2-bromo-1-(4-methylphenyl)-3-(2-phenylethynyl)-2-hepten-1-one IUPAC Name: (Z)-2-bromo-1-(4-methylphenyl)-3-(2-phenylethynyl)hept-2-en-1-one Traditional Name: (Z)-2-bromo-3-butyl-5-phenyl-1-(p-tolyl)pent-2-en-4-yn-1-one Formula: C22H21BrO MolecularWeight: 381.30554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)C1=CC=C(C=C1)C)Br)C#CC2=CC=CC=C2

Isomeric SMILES

CCCC/C(=C(\C(=O)C1=CC=C(C=C1)C)/Br)/C#CC2=CC=CC=C2

InChI

InChI=1S/C22H21BrO/c1-3-4-10-19(16-13-18-8-6-5-7-9-18)21(23)22(24)20-14-11-17(2)12-15-20/h5-9,11-12,14-15H,3-4,10H2,1-2H3/b21-19-