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

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4O2S/c23-18-5-1-2-6-19(18)25-11-13-26(14-12-25)21(28)16-30-20-8-7-17(15-24-20)22(29)27-9-3-4-10-27/h1-2,5-8,15H,3-4,9-14,16H2