2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H26ClFN6O MolecularWeight: 432.922143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26ClFN6O/c22-18-3-1-4-19(23)17(18)15-26-7-9-27(10-8-26)16-20(30)28-11-13-29(14-12-28)21-24-5-2-6-25-21/h1-6H,7-16H2