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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]-2-fluoro-benzamide Formula: C22H19FN4O3 MolecularWeight: 406.409663

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3F)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3F)/C#N

InChI

InChI=1S/C22H19FN4O3/c1-30-12-6-11-25-21(28)17(13-24)19-14-7-2-3-8-15(14)20(26-19)27-22(29)16-9-4-5-10-18(16)23/h2-5,7-10H,6,11-12H2,1H3,(H,25,28)(H,26,27,29)/b19-17-