ethanedioic acid; N-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-pyridin-2-yl-ethanamine

Systemtic Name: ethanedioic acid; N-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-pyridin-2-yl-ethanamine Openeye Name: oxalic acid; N-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]-2-(2-pyridyl)ethanamine CAS Name: N-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine; oxalic acid IUPAC Name: N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-2-ylethanamine; oxalic acid Traditional Name: oxalic acid; [1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl-[2-(2-pyridyl)ethyl]amine Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CNCCC3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CNCCC3=CC=CC=N3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N4.C2H2O4/c1-19-10-12-20(13-11-19)24-21(17-25-16-14-22-7-5-6-15-26-22)18-28(27-24)23-8-3-2-4-9-23;3-1(4)2(5)6/h2-13,15,18,25H,14,16-17H2,1H3;(H,3,4)(H,5,6)