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

Systemtic Name: 5-[[1-[(3-bromanyl-4-tert-butyl-phenyl)amino]isoquinolin-4-yl]methyl]-1H-pyridin-2-one Openeye Name: 5-[[1-(3-bromo-4-tert-butyl-anilino)-4-isoquinolyl]methyl]-1H-pyridin-2-one CAS Name: 5-[[1-(3-bromo-4-tert-butylanilino)-4-isoquinolinyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-[[1-(3-bromo-4-tert-butylanilino)isoquinolin-4-yl]methyl]-1H-pyridin-2-one Traditional Name: 5-[[1-(3-bromo-4-tert-butyl-anilino)-4-isoquinolyl]methyl]-2-pyridone Formula: C25H24BrN3O MolecularWeight: 462.38156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O/c1-25(2,3)21-10-9-18(13-22(21)26)29-24-20-7-5-4-6-19(20)17(15-28-24)12-16-8-11-23(30)27-14-16/h4-11,13-15H,12H2,1-3H3,(H,27,30)(H,28,29)