ethanedioic acid; 1-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]propan-2-ol Openeye Name: 1-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]propan-2-ol; oxalic acid CAS Name: 1-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methylamino]-2-propanol; oxalic acid IUPAC Name: 1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol; oxalic acid Traditional Name: 1-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]propan-2-ol; oxalic acid Formula: C22H24FN3O6 MolecularWeight: 445.440863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC(C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCC(C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22FN3O2.C2H2O4/c1-14(25)12-22-13-19-15(2)23-24(17-6-4-3-5-7-17)20(19)26-18-10-8-16(21)9-11-18;3-1(4)2(5)6/h3-11,14,22,25H,12-13H2,1-2H3;(H,3,4)(H,5,6)