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

Systemtic Name: ethanedioic acid; 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-1-piperidyl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-[4-(2-fluorophenyl)piperazino]piperidino]-2-phenyl-ethanone; oxalic acid Formula: C25H30FN3O5 MolecularWeight: 471.521203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28FN3O.C2H2O4/c24-21-8-4-5-9-22(21)26-16-14-25(15-17-26)20-10-12-27(13-11-20)23(28)18-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-9,20H,10-18H2;(H,3,4)(H,5,6)