2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one

Systemtic Name: 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one Openeye Name: 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one CAS Name: 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]chromen-4-one Traditional Name: 2-[[4-[4-(trifluoromethyl)benzyl]piperazino]methyl]chromone Formula: C22H21F3N2O2 MolecularWeight: 402.40955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H21F3N2O2/c23-22(24,25)17-7-5-16(6-8-17)14-26-9-11-27(12-10-26)15-18-13-20(28)19-3-1-2-4-21(19)29-18/h1-8,13H,9-12,14-15H2