ethanedioic acid; N-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine

Systemtic Name: ethanedioic acid; N-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine Openeye Name: N-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]amine; oxalic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H23N3O.C2H2O4/c1-28-23-14-12-20(13-15-23)24-21(17-25-16-19-8-4-2-5-9-19)18-27(26-24)22-10-6-3-7-11-22;3-1(4)2(5)6/h2-15,18,25H,16-17H2,1H3;(H,3,4)(H,5,6)