ethanedioic acid; 1-ethyl-N-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]piperidin-4-amine

Systemtic Name: ethanedioic acid; 1-ethyl-N-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]piperidin-4-amine Openeye Name: 1-ethyl-N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]piperidin-4-amine; oxalic acid CAS Name: 1-ethyl-N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-4-piperidinamine; oxalic acid IUPAC Name: 1-ethyl-N-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]piperidin-4-amine; oxalic acid Traditional Name: (1-ethyl-4-piperidyl)-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C28H33FN4O9 MolecularWeight: 588.581423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NCC2=C(N(N=C2C)C3=CC=CC=C3)OC4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(CC1)NCC2=C(N(N=C2C)C3=CC=CC=C3)OC4=CC=C(C=C4)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29FN4O.2C2H2O4/c1-3-28-15-13-20(14-16-28)26-17-23-18(2)27-29(21-7-5-4-6-8-21)24(23)30-22-11-9-19(25)10-12-22;2*3-1(4)2(5)6/h4-12,20,26H,3,13-17H2,1-2H3;2*(H,3,4)(H,5,6)