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

Systemtic Name: pyridin-2-ylmethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 2-pyridylmethyl 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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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 2-pyridylmethyl ester Formula: C32H32F2N4O2 MolecularWeight: 542.618886

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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)OCC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)OCC5=CC=CC=N5

InChI

InChI=1S/C32H32F2N4O2/c33-26-12-8-24(9-13-26)29(25-10-14-27(34)15-11-25)7-4-18-37-19-21-38(22-20-37)31-30(6-3-17-36-31)32(39)40-23-28-5-1-2-16-35-28/h1-3,5-6,8-17,29H,4,7,18-23H2