N-(2-bromanyl-4-methyl-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C21H20BrN3O3/c1-14-6-7-18(17(22)12-14)24-19(26)8-10-23-20(27)13-25-11-9-15-4-2-3-5-16(15)21(25)28/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,27)(H,24,26)