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

Systemtic Name: 4-[[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chloro-6-fluoro-benzoyl)piperazino]methyl]benzonitrile Formula: C19H17ClFN3O MolecularWeight: 357.809183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17ClFN3O/c20-16-2-1-3-17(21)18(16)19(25)24-10-8-23(9-11-24)13-15-6-4-14(12-22)5-7-15/h1-7H,8-11,13H2