2-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[2-(4-bromophenyl)-1-oxoethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(4-bromophenyl)acetyl]piperazino]-6-fluoro-benzonitrile Formula: C19H17BrFN3O MolecularWeight: 402.260183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)CC3=CC=C(C=C3)Br

InChI

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