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

Systemtic Name: N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-cyano-2-(2-furylmethylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[3-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[3-[1-cyano-2-(2-furfurylamino)-2-keto-ethylidene]isoindol-1-yl]-4-fluoro-benzamide Formula: C23H15FN4O3 MolecularWeight: 414.388603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C#N)C(=O)NCC3=CC=CO3)N=C2NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C#N)C(=O)NCC3=CC=CO3)N=C2NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H15FN4O3/c24-15-9-7-14(8-10-15)22(29)28-21-18-6-2-1-5-17(18)20(27-21)19(12-25)23(30)26-13-16-4-3-11-31-16/h1-11H,13H2,(H,26,30)(H,27,28,29)