3,4,5-triethoxy-N-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)benzamide Openeye Name: 3,4,5-triethoxy-N-(2-pyrimidin-2-ylisoindolin-1-ylidene)benzamide CAS Name: 3,4,5-triethoxy-N-[2-(2-pyrimidinyl)-3H-isoindol-1-ylidene]benzamide IUPAC Name: 3,4,5-triethoxy-N-(2-pyrimidin-2-yl-3H-isoindol-1-ylidene)benzamide Traditional Name: 3,4,5-triethoxy-N-[2-(2-pyrimidyl)isoindolin-1-ylidene]benzamide Formula: C25H26N4O4 MolecularWeight: 446.49834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN2C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN2C4=NC=CC=N4

InChI

InChI=1S/C25H26N4O4/c1-4-31-20-14-18(15-21(32-5-2)22(20)33-6-3)24(30)28-23-19-11-8-7-10-17(19)16-29(23)25-26-12-9-13-27-25/h7-15H,4-6,16H2,1-3H3