4,4,4-tris(fluoranyl)-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4,4,4-tris(fluoranyl)-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-phenyl-butan-1-one CAS Name: 4,4,4-trifluoro-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4,4,4-trifluoro-1-phenylbutan-1-one Traditional Name: 3-(4-benzylpiperazino)-4,4,4-trifluoro-1-phenyl-butan-1-one Formula: C21H23F3N2O MolecularWeight: 376.41533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CC(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O/c22-21(23,24)20(15-19(27)18-9-5-2-6-10-18)26-13-11-25(12-14-26)16-17-7-3-1-4-8-17/h1-10,20H,11-16H2