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

Systemtic Name: ethanedioic acid; 2-(furan-2-yl)-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-2-pyrrolidin-1-yl-ethanamine Openeye Name: 2-(2-furyl)-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-yl-ethanamine; oxalic acid CAS Name: 2-(2-furanyl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-2-(1-pyrrolidinyl)ethanamine; oxalic acid IUPAC Name: 2-(furan-2-yl)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine; oxalic acid Traditional Name: [2-(2-furyl)-2-pyrrolidino-ethyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C28H30N4O9S MolecularWeight: 598.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=CC=CO5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C5=CC=CO5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N4OS.2C2H2O4/c1-2-8-20(9-3-1)28-18-19(24(26-28)23-11-7-15-30-23)16-25-17-21(22-10-6-14-29-22)27-12-4-5-13-27;2*3-1(4)2(5)6/h1-3,6-11,14-15,18,21,25H,4-5,12-13,16-17H2;2*(H,3,4)(H,5,6)