N-(1-adamantyl)-4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(1-adamantyl)-4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(1-adamantyl)-4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(1-adamantyl)-4-(5-bromo-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(1-adamantyl)-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(1-adamantyl)-4-(5-bromo-1,3-diketo-isoindolin-2-yl)butyramide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C22H25BrN2O3/c23-16-3-4-17-18(9-16)21(28)25(20(17)27)5-1-2-19(26)24-22-10-13-6-14(11-22)8-15(7-13)12-22/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,24,26)