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

Systemtic Name: methyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 4-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid methyl ester Formula: C27H29F2N3O2 MolecularWeight: 465.534866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CN=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CN=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29F2N3O2/c1-34-27(33)25-19-30-13-12-26(25)32-17-15-31(16-18-32)14-2-3-24(20-4-8-22(28)9-5-20)21-6-10-23(29)11-7-21/h4-13,19,24H,2-3,14-18H2,1H3