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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)OC(=O)C2=C(N=CC=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)OC(=O)C2=C(N=CC=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27F2N3O2/c27-21-10-6-19(7-11-21)23(20-8-12-22(28)13-9-20)3-1-5-25-24(4-2-14-30-25)26(32)33-31-17-15-29-16-18-31/h2,4,6-14,23,29H,1,3,5,15-18H2