ethanedioic acid; N-[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]-2-[[2-[[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]carbamoyl]phenyl]diselanyl]benzamide

Systemtic Name: ethanedioic acid; N-[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]-2-[[2-[[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]carbamoyl]phenyl]diselanyl]benzamide Openeye Name: oxalic acid; N-[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]-2-[[2-[[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]carbamoyl]phenyl]diselanyl]benzamide CAS Name: oxalic acid; 2-[[2-[oxo-[3-(2,5,5-trimethyl-2-pyrrolidinyl)anilino]methyl]phenyl]diselanyl]-N-[3-(2,5,5-trimethyl-2-pyrrolidinyl)phenyl]benzamide IUPAC Name: oxalic acid; N-[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]-2-[[2-[[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]carbamoyl]phenyl]diselanyl]benzamide Traditional Name: oxalic acid; N-[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]-2-[[2-[[3-(2,5,5-trimethylpyrrolidin-2-yl)phenyl]carbamoyl]phenyl]diselanyl]benzamide Formula: C42H48N4O6Se2 MolecularWeight: 862.77372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N1)(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3[Se][Se]C4=CC=CC=C4C(=O)NC5=CC=CC(=C5)C6(CCC(N6)(C)C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CCC(N1)(C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3[Se][Se]C4=CC=CC=C4C(=O)NC5=CC=CC(=C5)C6(CCC(N6)(C)C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C40H46N4O2Se2.C2H2O4/c1-37(2)21-23-39(5,43-37)27-13-11-15-29(25-27)41-35(45)31-17-7-9-19-33(31)47-48-34-20-10-8-18-32(34)36(46)42-30-16-12-14-28(26-30)40(6)24-22-38(3,4)44-40;3-1(4)2(5)6/h7-20,25-26,43-44H,21-24H2,1-6H3,(H,41,45)(H,42,46);(H,3,4)(H,5,6)