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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(2-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(2-pyridinylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(2-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18FN3O.C2H2O4/c18-15-5-3-4-14(12-15)17(22)21-10-8-20(9-11-21)13-16-6-1-2-7-19-16;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)