(3-fluorophenyl) 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-piperazine-2-carboxylate

Systemtic Name: (3-fluorophenyl) 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-piperazine-2-carboxylate Openeye Name: (3-fluorophenyl) 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)piperazine-2-carboxylate CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridinyl)-2-piperazinecarboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-ylpiperazine-2-carboxylate Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)piperazine-2-carboxylic acid (3-fluorophenyl) ester Formula: C32H30F3N3O2 MolecularWeight: 545.59471

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)OC4=CC(=CC=C4)F)C5=CC=CC=N5

Isomeric SMILES

C1CN(C(CN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)OC4=CC(=CC=C4)F)C5=CC=CC=N5

InChI

InChI=1S/C32H30F3N3O2/c33-25-13-9-23(10-14-25)29(24-11-15-26(34)16-12-24)7-4-18-37-19-20-38(31-8-1-2-17-36-31)30(22-37)32(39)40-28-6-3-5-27(35)21-28/h1-3,5-6,8-17,21,29-30H,4,7,18-20,22H2