4-[4,4-bis(4-fluorophenyl)butyl]-2-piperazin-1-yl-pyridine-3-carboxylic acid

Systemtic Name: 4-[4,4-bis(4-fluorophenyl)butyl]-2-piperazin-1-yl-pyridine-3-carboxylic acid Openeye Name: 4-[4,4-bis(4-fluorophenyl)butyl]-2-piperazin-1-yl-pyridine-3-carboxylic acid CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-2-(1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 4-[4,4-bis(4-fluorophenyl)butyl]-2-piperazin-1-ylpyridine-3-carboxylic acid Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]-2-piperazino-nicotinic acid Formula: C26H27F2N3O2 MolecularWeight: 451.508286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC(=C2C(=O)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)C2=NC=CC(=C2C(=O)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27F2N3O2/c27-21-8-4-18(5-9-21)23(19-6-10-22(28)11-7-19)3-1-2-20-12-13-30-25(24(20)26(32)33)31-16-14-29-15-17-31/h4-13,23,29H,1-3,14-17H2,(H,32,33)