methyl 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]nicotinic acid methyl ester Formula: C25H23F2N3O3 MolecularWeight: 451.465226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23F2N3O3/c1-33-25(32)19-6-11-22(28-16-19)24(31)30-14-12-29(13-15-30)23(17-2-7-20(26)8-3-17)18-4-9-21(27)10-5-18/h2-11,16,23H,12-15H2,1H3