3-bromanyl-N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide

Systemtic Name: 3-bromanyl-N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]benzamide Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C22H19BrN4O3/c1-30-11-5-10-25-22(29)18(13-24)19-16-8-2-3-9-17(16)20(26-19)27-21(28)14-6-4-7-15(23)12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,25,29)(H,26,27,28)/b19-18-