3-piperazin-1-ylbenzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-piperazin-1-ylbenzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-piperazin-1-ylbenzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 3-(1-piperazinyl)benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 3-piperazin-1-ylbenzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 3-piperazinobenzonitrile; 2,2,2-trifluoroacetic acid Formula: C15H15F6N3O4 MolecularWeight: 415.287719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3.2C2HF3O2/c12-9-10-2-1-3-11(8-10)14-6-4-13-5-7-14;2*3-2(4,5)1(6)7/h1-3,8,13H,4-7H2;2*(H,6,7)