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

Systemtic Name: ethanedioic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: oxalic acid; 3-[4-[3-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C16H20F3N3O5 MolecularWeight: 391.34231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3O.C2H2O4/c15-14(16,17)11-2-1-3-12(10-11)20-8-6-19(7-9-20)5-4-13(18)21;3-1(4)2(5)6/h1-3,10H,4-9H2,(H2,18,21);(H,3,4)(H,5,6)