1-(4-pentan-3-ylpiperazin-1-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione

Systemtic Name: 1-(4-pentan-3-ylpiperazin-1-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione Openeye Name: 1-[4-(1-ethylpropyl)piperazin-1-yl]-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione CAS Name: 1-(4-pentan-3-yl-1-piperazinyl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione IUPAC Name: 1-(4-pentan-3-ylpiperazin-1-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione Formula: C20H27F3N2O2 MolecularWeight: 384.43579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N2O2/c1-3-17(4-2)24-11-13-25(14-12-24)19(27)10-9-18(26)15-5-7-16(8-6-15)20(21,22)23/h5-8,17H,3-4,9-14H2,1-2H3