ethanedioic acid; N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanamide

Systemtic Name: ethanedioic acid; N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanamide Openeye Name: N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanamide; oxalic acid CAS Name: N-(2-fluorophenyl)-2-(4-methyl-1-piperazinyl)propanamide; oxalic acid IUPAC Name: N-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanamide; oxalic acid Traditional Name: N-(2-fluorophenyl)-2-(4-methylpiperazino)propionamide; oxalic acid Formula: C16H22FN3O5 MolecularWeight: 355.361383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)N2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20FN3O.C2H2O4/c1-11(18-9-7-17(2)8-10-18)14(19)16-13-6-4-3-5-12(13)15;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3,(H,16,19);(H,3,4)(H,5,6)