N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]-4-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=C(C=C3)F)C#N

Isomeric SMILES

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

InChI

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