ethanedioic acid; 1-[(4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(4-fluorophenyl)methyl]-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-fluorobenzyl)-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)CC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)CC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20FN3.C2H2O4/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)