ethanedioic acid; (2-fluorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (2-fluorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2-fluorophenyl)-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2-fluorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (2-fluorophenyl)-[4-(4-methylbenzyl)piperazino]methanone; oxalic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21FN2O.C2H2O4/c1-15-6-8-16(9-7-15)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)