1-phenethyl-4-phenyl-piperidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-phenethyl-4-phenyl-piperidine-4-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-phenethyl-4-phenyl-piperidine-4-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 1-phenethyl-4-phenyl-4-piperidinecarbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 1-phenethyl-4-phenylpiperidine-4-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 1-phenethyl-4-phenyl-isonipecotonitrile; 2,2,2-trifluoroacetic acid Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCC3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCC3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H22N2.C2HF3O2/c21-17-20(19-9-5-2-6-10-19)12-15-22(16-13-20)14-11-18-7-3-1-4-8-18;3-2(4,5)1(6)7/h1-10H,11-16H2;(H,6,7)