ethanedioic acid; (3-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(o-tolylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-[(2-methylphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(2-methylbenzyl)piperazino]methanone; oxalic acid Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

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