ethanedioic acid; 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(3-fluorobenzyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C27H27FN2O5 MolecularWeight: 478.512083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25FN2O.C2H2O4/c26-23-13-7-8-20(18-23)19-27-14-16-28(17-15-27)25(29)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;3-1(4)2(5)6/h1-13,18,24H,14-17,19H2;(H,3,4)(H,5,6)