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

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-phenylprop-2-ynyl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3-phenylprop-2-ynyl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(3-phenylprop-2-ynyl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-phenylprop-2-ynyl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(3-phenylprop-2-ynyl)butyramide Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C#CCNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O3/c22-16-10-11-17-18(14-16)21(27)24(20(17)26)13-5-9-19(25)23-12-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,5,9,12-13H2,(H,23,25)