4-[[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-bromo-2-fluoro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-bromo-2-fluoro-benzoyl)piperazino]methyl]benzonitrile Formula: C19H17BrFN3O MolecularWeight: 402.260183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrFN3O/c20-16-5-6-18(21)17(11-16)19(25)24-9-7-23(8-10-24)13-15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2