3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-bromanyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-bromanyl-2-methyl-phenyl)propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17BrN2O3/c1-12-10-14(20)6-7-16(12)21-17(23)8-9-22-18(24)11-13-4-2-3-5-15(13)19(22)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)