4-piperazin-1-ylcarbonylbenzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-piperazin-1-ylcarbonylbenzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(piperazine-1-carbonyl)benzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 4-[oxo(1-piperazinyl)methyl]benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(piperazine-1-carbonyl)benzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 4-(piperazine-1-carbonyl)benzonitrile; 2,2,2-trifluoroacetic acid Formula: C14H14F3N3O3 MolecularWeight: 329.27447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H13N3O.C2HF3O2/c13-9-10-1-3-11(4-2-10)12(16)15-7-5-14-6-8-15;3-2(4,5)1(6)7/h1-4,14H,5-8H2;(H,6,7)