ethanedioic acid; 1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)methyl]piperazine; oxalic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1)CN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N4.C2H2O4/c1-18-22(20-10-6-3-7-11-20)21(24-23-18)17-26-14-12-25(13-15-26)16-19-8-4-2-5-9-19;3-1(4)2(5)6/h2-11H,12-17H2,1H3,(H,23,24);(H,3,4)(H,5,6)