5-[[1-[(3-bromanyl-4-ethyl-phenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 5-[[1-[(3-bromanyl-4-ethyl-phenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-(3-bromo-4-ethyl-anilino)-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-(3-bromo-4-ethylanilino)-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-(3-bromo-4-ethylanilino)isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[1-(3-bromo-4-ethyl-anilino)-4-isoquinolyl]methyl]-2-pyridone Formula: C23H20BrN3O MolecularWeight: 434.3284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

InChI

InChI=1S/C23H20BrN3O/c1-2-16-8-9-18(12-21(16)24)27-23-20-6-4-3-5-19(20)17(14-26-23)11-15-7-10-22(28)25-13-15/h3-10,12-14H,2,11H2,1H3,(H,25,28)(H,26,27)