ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-phenylethanamine; oxalic acid Traditional Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-phenethyl-amine; oxalic acid Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22FN3.C2H2O4/c1-15-20(14-22-13-12-17-6-4-3-5-7-17)16(2)24(23-15)19-10-8-18(21)9-11-19;3-1(4)2(5)6/h3-11,22H,12-14H2,1-2H3;(H,3,4)(H,5,6)