1,3-bis(oxidanylidene)-N,2-bis(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N,2-bis(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: 1,3-dioxo-N,2-bis(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N,2-bis(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-N,2-bis(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-N,2-bis(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C21H16N4O3/c26-19(24-12-14-3-1-7-22-10-14)16-5-6-17-18(9-16)21(28)25(20(17)27)13-15-4-2-8-23-11-15/h1-11H,12-13H2,(H,24,26)