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

Systemtic Name: ethanedioic acid; 1-phenyl-N-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]methanamine Openeye Name: N-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]-1-phenyl-methanamine; oxalic acid CAS Name: oxalic acid; 1-phenyl-N-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]methanamine IUPAC Name: N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3S.C2H2O4/c1-3-8-18(9-4-1)14-23-15-20-17-25(16-19-10-5-2-6-11-19)24-22(20)21-12-7-13-26-21;3-1(4)2(5)6/h1-13,17,23H,14-16H2;(H,3,4)(H,5,6)