1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazino]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4O2S/c24-20-6-2-1-5-19(20)16-26-11-13-27(14-12-26)22(29)17-31-21-8-7-18(15-25-21)23(30)28-9-3-4-10-28/h1-2,5-8,15H,3-4,9-14,16-17H2