(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[3-(trifluoromethyl)benzyl]piperazino]prop-2-en-1-one Formula: C22H21F3N2O3 MolecularWeight: 418.40895

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21F3N2O3/c23-22(24,25)18-3-1-2-17(12-18)14-26-8-10-27(11-9-26)21(28)7-5-16-4-6-19-20(13-16)30-15-29-19/h1-7,12-13H,8-11,14-15H2/b7-5+