(3E,6E)-3-phenethylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione

Systemtic Name: (3E,6E)-3-phenethylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione Openeye Name: (3E,6E)-3-[(5-benzyloxy-2-pyridyl)methylene]-6-phenethylidene-piperazine-2,5-dione CAS Name: (3E,6E)-3-phenethylidene-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione IUPAC Name: (3E,6E)-3-phenethylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione Traditional Name: (3E,6E)-3-[(5-benzoxy-2-pyridyl)methylene]-6-phenethylidene-piperazine-2,5-quinone Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=C2C(=O)NC(=CC3=NC=C(C=C3)OCC4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C/C=C/2\C(=O)N/C(=C/C3=NC=C(C=C3)OCC4=CC=CC=C4)/C(=O)N2

InChI

InChI=1S/C25H21N3O3/c29-24-22(14-11-18-7-3-1-4-8-18)27-25(30)23(28-24)15-20-12-13-21(16-26-20)31-17-19-9-5-2-6-10-19/h1-10,12-16H,11,17H2,(H,27,30)(H,28,29)/b22-14+,23-15+