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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-piperonyl-butyramide Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H17BrN2O5/c21-13-4-5-14-15(9-13)20(26)23(19(14)25)7-1-2-18(24)22-10-12-3-6-16-17(8-12)28-11-27-16/h3-6,8-9H,1-2,7,10-11H2,(H,22,24)