2-(2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-(2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(2-methylphenoxy)butan-1-one CAS Name: 2-(2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-2-(2-methylphenoxy)butan-1-one Formula: C24H30N2O2 MolecularWeight: 378.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)OC3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)OC3=CC=CC=C3C

InChI

InChI=1S/C24H30N2O2/c1-3-22(28-23-14-8-7-10-20(23)2)24(27)26-18-16-25(17-19-26)15-9-13-21-11-5-4-6-12-21/h4-14,22H,3,15-19H2,1-2H3/b13-9+