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

Systemtic Name: cyclohexyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C32H37F2N3O2 MolecularWeight: 533.651886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C(N=CC=C2)N3CCN(CC3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C(N=CC=C2)N3CCN(CC3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H37F2N3O2/c33-26-14-10-24(11-15-26)29(25-12-16-27(34)17-13-25)9-5-19-36-20-22-37(23-21-36)31-30(8-4-18-35-31)32(38)39-28-6-2-1-3-7-28/h4,8,10-18,28-29H,1-3,5-7,9,19-23H2