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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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