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

Systemtic Name: ethanedioic acid; 1-(2-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine; oxalic acid CAS Name: 1-(2-fluorophenyl)-4-[1-(3-pyridinylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(2-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-(2-fluorophenyl)-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine; oxalic acid Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3F)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27FN4.C2H2O4/c22-20-5-1-2-6-21(20)26-14-12-25(13-15-26)19-7-10-24(11-8-19)17-18-4-3-9-23-16-18;3-1(4)2(5)6/h1-6,9,16,19H,7-8,10-15,17H2;(H,3,4)(H,5,6)