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

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[4-(3-oxo-1-piperazinyl)phenyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[4-(3-ketopiperazino)phenyl]butyramide Formula: C22H21BrN4O4 MolecularWeight: 485.33054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O4/c23-14-3-8-17-18(12-14)22(31)27(21(17)30)10-1-2-19(28)25-15-4-6-16(7-5-15)26-11-9-24-20(29)13-26/h3-8,12H,1-2,9-11,13H2,(H,24,29)(H,25,28)