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

Systemtic Name: ethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid ethyl ester Formula: C28H31F2N3O2 MolecularWeight: 479.561446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H31F2N3O2/c1-2-35-28(34)26-5-3-15-31-27(26)33-19-17-32(18-20-33)16-4-6-25(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h3,5,7-15,25H,2,4,6,16-20H2,1H3