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

Systemtic Name: ethanedioic acid; N-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine; oxalic acid Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-phenethyl-amine; oxalic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CNCCC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CNCCC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25N3O.C2H2O4/c1-29-24-14-12-21(13-15-24)25-22(18-26-17-16-20-8-4-2-5-9-20)19-28(27-25)23-10-6-3-7-11-23;3-1(4)2(5)6/h2-15,19,26H,16-18H2,1H3;(H,3,4)(H,5,6)