ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine

Systemtic Name: ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine Openeye Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20FN3.C2H2O4/c1-14-19(13-21-12-16-6-4-3-5-7-16)15(2)23(22-14)18-10-8-17(20)9-11-18;3-1(4)2(5)6/h3-11,21H,12-13H2,1-2H3;(H,3,4)(H,5,6)