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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCCC4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCCC4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N4.C2H2O4/c1-3-9-20(10-4-1)18-28-19-22(24(27-28)21-11-5-2-6-12-21)17-25-16-14-23-13-7-8-15-26-23;3-1(4)2(5)6/h1-13,15,19,25H,14,16-18H2;(H,3,4)(H,5,6)