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

Systemtic Name: ethanedioic acid; N-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]ethanamine; oxalic acid CAS Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl]ethanamine; oxalic acid IUPAC Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]ethanamine; oxalic acid Traditional Name: ethyl-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(N(N=C1C)C2=CC=CC=C2)OC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCC1=C(N(N=C1C)C2=CC=CC=C2)OC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20FN3O.C2H2O4/c1-3-21-13-18-14(2)22-23(16-7-5-4-6-8-16)19(18)24-17-11-9-15(20)10-12-17;3-1(4)2(5)6/h4-12,21H,3,13H2,1-2H3;(H,3,4)(H,5,6)