2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(2-chloro-6-fluoro-benzoyl)piperazino]acetonitrile Formula: C13H13ClFN3O MolecularWeight: 281.713223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)C(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CCN1CC#N)C(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H13ClFN3O/c14-10-2-1-3-11(15)12(10)13(19)18-8-6-17(5-4-16)7-9-18/h1-3H,5-9H2