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

Systemtic Name: N-(1-adamantyl)-3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1-adamantyl)-3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(1-adamantyl)-3-(5-bromo-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(1-adamantyl)-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(1-adamantyl)-3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C21H23BrN2O3/c22-15-1-2-16-17(8-15)20(27)24(19(16)26)4-3-18(25)23-21-9-12-5-13(10-21)7-14(6-12)11-21/h1-2,8,12-14H,3-7,9-11H2,(H,23,25)