ethanedioic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanenitrile Openeye Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanenitrile CAS Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propanenitrile IUPAC Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanenitrile Traditional Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazino]propionitrile Formula: C16H18F3N3O4 MolecularWeight: 373.32703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16F3N3.C2H2O4/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18;3-1(4)2(5)6/h1,3-4,11H,2,6-10H2;(H,3,4)(H,5,6)