(3E)-1-ethanoyl-3-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione

Systemtic Name: (3E)-1-ethanoyl-3-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione Openeye Name: (3E)-1-acetyl-3-[(5-benzyloxy-2-pyridyl)methylene]piperazine-2,5-dione CAS Name: (3E)-1-acetyl-3-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione IUPAC Name: (3E)-1-acetyl-3-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione Traditional Name: (3E)-1-acetyl-3-[(5-benzoxy-2-pyridyl)methylene]piperazine-2,5-quinone Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)NC(=CC2=NC=C(C=C2)OCC3=CC=CC=C3)C1=O

Isomeric SMILES

CC(=O)N1CC(=O)N/C(=C/C2=NC=C(C=C2)OCC3=CC=CC=C3)/C1=O

InChI

InChI=1S/C19H17N3O4/c1-13(23)22-11-18(24)21-17(19(22)25)9-15-7-8-16(10-20-15)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,24)/b17-9+