ethanedioic acid; 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(3-fluorobenzyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21FN2O.C2H2O4/c20-18-8-4-7-17(13-18)15-21-9-11-22(12-10-21)19(23)14-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,13H,9-12,14-15H2;(H,3,4)(H,5,6)