N-[(4-acetamidophenyl)methyl]-3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[(4-acetamidophenyl)methyl]-3-(5-bromo-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(4-acetamidobenzyl)-3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionamide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-12(25)23-15-5-2-13(3-6-15)11-22-18(26)8-9-24-19(27)16-7-4-14(21)10-17(16)20(24)28/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,25)