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

Systemtic Name: ethanedioic acid; 3-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid CAS Name: 3-(4-methyl-1-piperazinyl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid IUPAC Name: 3-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid Traditional Name: 3-(4-methylpiperazino)-N-[3-(trifluoromethyl)phenyl]propionamide; oxalic acid Formula: C19H24F3N3O9 MolecularWeight: 495.40377

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20F3N3O.2C2H2O4/c1-20-7-9-21(10-8-20)6-5-14(22)19-13-4-2-3-12(11-13)15(16,17)18;2*3-1(4)2(5)6/h2-4,11H,5-10H2,1H3,(H,19,22);2*(H,3,4)(H,5,6)