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

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(3-fluorobenzyl)-4-(4-phenylcyclohexyl)piperazine; oxalic acid Formula: C25H31FN2O4 MolecularWeight: 442.523043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29FN2.C2H2O4/c24-22-8-4-5-19(17-22)18-25-13-15-26(16-14-25)23-11-9-21(10-12-23)20-6-2-1-3-7-20;3-1(4)2(5)6/h1-8,17,21,23H,9-16,18H2;(H,3,4)(H,5,6)