2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-pyridin-2-yl-piperazine; ethanedioic acid

Systemtic Name: 2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-pyridin-2-yl-piperazine; ethanedioic acid Openeye Name: 2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-(2-pyridyl)piperazine; oxalic acid CAS Name: 2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 2-[4,4-bis(4-fluorophenyl)butyl]-2,5-dimethyl-1-(2-pyridyl)piperazine; oxalic acid Formula: C29H33F2N3O4 MolecularWeight: 525.586826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1)(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CN(C(CN1)(C)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31F2N3.C2H2O4/c1-20-18-32(26-7-3-4-17-30-26)27(2,19-31-20)16-5-6-25(21-8-12-23(28)13-9-21)22-10-14-24(29)15-11-22;3-1(4)2(5)6/h3-4,7-15,17,20,25,31H,5-6,16,18-19H2,1-2H3;(H,3,4)(H,5,6)