1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methyl-piperazine; oxalic acid Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23ClN4.C2H2O4/c1-24-11-13-25(14-12-24)15-18-16-26(20-5-3-2-4-6-20)23-21(18)17-7-9-19(22)10-8-17;3-1(4)2(5)6/h2-10,16H,11-15H2,1H3;(H,3,4)(H,5,6)