4-[[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C20H19BrFN3O2 MolecularWeight: 432.286163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H19BrFN3O2/c21-17-5-6-19(18(22)11-17)27-14-20(26)25-9-7-24(8-10-25)13-16-3-1-15(12-23)2-4-16/h1-6,11H,7-10,13-14H2