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

Systemtic Name: 5-[[1-[(3-bromanyl-4-methyl-phenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-(3-bromo-4-methyl-anilino)-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-(3-bromo-4-methylanilino)-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-(3-bromo-4-methylanilino)isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[1-(3-bromo-4-methyl-anilino)-4-isoquinolyl]methyl]-2-pyridone Formula: C22H18BrN3O MolecularWeight: 420.30182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CNC(=O)C=C4)Br

InChI

InChI=1S/C22H18BrN3O/c1-14-6-8-17(11-20(14)23)26-22-19-5-3-2-4-18(19)16(13-25-22)10-15-7-9-21(27)24-12-15/h2-9,11-13H,10H2,1H3,(H,24,27)(H,25,26)