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

Systemtic Name: 4-phenylbutyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 4-phenylbutyl 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 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 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 4-phenylbutyl ester Formula: C36H39F2N3O2 MolecularWeight: 583.710566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)OCCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)OCCCCC5=CC=CC=C5

InChI

InChI=1S/C36H39F2N3O2/c37-31-17-13-29(14-18-31)33(30-15-19-32(38)20-16-30)12-7-22-40-23-25-41(26-24-40)35-34(11-6-21-39-35)36(42)43-27-5-4-10-28-8-2-1-3-9-28/h1-3,6,8-9,11,13-21,33H,4-5,7,10,12,22-27H2