5-chloranyl-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 5-chloranyl-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]isoindole-1,3-dione Openeye Name: 5-chloro-4-[[2-(3-pyridylmethoxy)phenyl]methyl]isoindoline-1,3-dione CAS Name: 5-chloro-4-[[2-(3-pyridinylmethoxy)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 5-chloro-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]isoindole-1,3-dione Traditional Name: 5-chloro-4-[2-(3-pyridylmethoxy)benzyl]isoindoline-1,3-quinone Formula: C21H15ClN2O3 MolecularWeight: 378.8084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C=CC3=C2C(=O)NC3=O)Cl)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C=CC3=C2C(=O)NC3=O)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C21H15ClN2O3/c22-17-8-7-15-19(21(26)24-20(15)25)16(17)10-14-5-1-2-6-18(14)27-12-13-4-3-9-23-11-13/h1-9,11H,10,12H2,(H,24,25,26)