4-[[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoyl-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[2-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoyl-cyclopropyl-amino]methyl]benzamide Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=C(C=C1)C(=O)N)C2CC2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC(C(=O)N(CC1=CC=C(C=C1)C(=O)N)C2CC2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O4/c1-12(26-21(29)17-9-6-15(23)10-18(17)22(26)30)20(28)25(16-7-8-16)11-13-2-4-14(5-3-13)19(24)27/h2-6,9-10,12,16H,7-8,11H2,1H3,(H2,24,27)