ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-[2-(trifluoromethyl)phenyl]propanamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-[2-(trifluoromethyl)phenyl]propionamide; oxalic acid Formula: C17H22F3N3O5 MolecularWeight: 405.36889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)N2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)N2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20F3N3O.C2H2O4/c1-11(21-9-7-20(2)8-10-21)14(22)19-13-6-4-3-5-12(13)15(16,17)18;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3,(H,19,22);(H,3,4)(H,5,6)