ethanedioic acid; N-(4-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: ethanedioic acid; N-(4-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-phenyl-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(4-fluorophenyl)-2-[4-(2-oxolanylmethyl)-1-piperazinyl]-2-phenylacetamide; oxalic acid IUPAC Name: N-(4-fluorophenyl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenylacetamide; oxalic acid Traditional Name: N-(4-fluorophenyl)-2-phenyl-2-[4-(tetrahydrofurfuryl)piperazino]acetamide; oxalic acid Formula: C27H32FN3O10 MolecularWeight: 577.555483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28FN3O2.2C2H2O4/c24-19-8-10-20(11-9-19)25-23(28)22(18-5-2-1-3-6-18)27-14-12-26(13-15-27)17-21-7-4-16-29-21;2*3-1(4)2(5)6/h1-3,5-6,8-11,21-22H,4,7,12-17H2,(H,25,28);2*(H,3,4)(H,5,6)