3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[2-methyl-5-(1-oxopropylamino)phenyl]propanamide IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(2-methyl-5-propionamido-phenyl)propionamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O4/c1-3-18(26)23-14-6-4-12(2)17(11-14)24-19(27)8-9-25-20(28)15-7-5-13(22)10-16(15)21(25)29/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,24,27)