ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine; oxalic acid Traditional Name: 1-[(E)-cinnamyl]-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23FN2.C2H2O4/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-10,16H,11-15,17H2;(H,3,4)(H,5,6)/b9-5+;