4-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C21H27BrN4O4 MolecularWeight: 479.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H27BrN4O4/c1-3-23(4-2)21(30)25-12-10-24(11-13-25)18(27)6-5-9-26-19(28)16-8-7-15(22)14-17(16)20(26)29/h7-8,14H,3-6,9-13H2,1-2H3