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

Systemtic Name: ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-1-phenyl-butan-1-amine Openeye Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-1-phenyl-butan-1-amine; oxalic acid CAS Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-1-phenyl-1-butanamine; oxalic acid IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-phenylbutan-1-amine; oxalic acid Traditional Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-(1-phenylbutyl)amine; oxalic acid Formula: C24H28FN3O4 MolecularWeight: 441.495223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NCC2=C(N(N=C2C)C3=CC=C(C=C3)F)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1)NCC2=C(N(N=C2C)C3=CC=C(C=C3)F)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26FN3.C2H2O4/c1-4-8-22(18-9-6-5-7-10-18)24-15-21-16(2)25-26(17(21)3)20-13-11-19(23)12-14-20;3-1(4)2(5)6/h5-7,9-14,22,24H,4,8,15H2,1-3H3;(H,3,4)(H,5,6)