N-(1H-benzimidazol-2-ylmethyl)-1-[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methanamine; ethanedioic acid

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methanamine; ethanedioic acid Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methanamine; oxalic acid CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methanamine; oxalic acid IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methanamine; oxalic acid Traditional Name: 1H-benzimidazol-2-ylmethyl-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C27H24FN5O5 MolecularWeight: 517.508363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC2=NC3=CC=CC=C3N2)OC4=CC=C(C=C4)F)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCC2=NC3=CC=CC=C3N2)OC4=CC=C(C=C4)F)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H22FN5O.C2H2O4/c1-17-21(15-27-16-24-28-22-9-5-6-10-23(22)29-24)25(32-20-13-11-18(26)12-14-20)31(30-17)19-7-3-2-4-8-19;3-1(4)2(5)6/h2-14,27H,15-16H2,1H3,(H,28,29);(H,3,4)(H,5,6)