ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-fluorobenzyl)-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C20H22FN3O6 MolecularWeight: 419.403583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20FN3O2.C2H2O4/c19-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-18(7-5-15)22(23)24;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)