3-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one

Systemtic Name: 3-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one Openeye Name: 3-(5-chloro-2,4-dimethoxy-anilino)-2-(5-methyl-2-pyridyl)isoindolin-1-one CAS Name: 3-(5-chloro-2,4-dimethoxyanilino)-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one IUPAC Name: 3-(5-chloro-2,4-dimethoxyanilino)-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one Traditional Name: 3-(5-chloro-2,4-dimethoxy-anilino)-2-(5-methyl-2-pyridyl)isoindolin-1-one Formula: C22H20ClN3O3 MolecularWeight: 409.8655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4OC)OC)Cl

Isomeric SMILES

CC1=CN=C(C=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4OC)OC)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-13-8-9-20(24-12-13)26-21(14-6-4-5-7-15(14)22(26)27)25-17-10-16(23)18(28-2)11-19(17)29-3/h4-12,21,25H,1-3H3