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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-keto-ethylidene]isoindol-1-yl]-4-fluoro-benzamide Formula: C22H19FN4O2 MolecularWeight: 390.410263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN4O2/c1-13(2)12-25-22(29)18(11-24)19-16-5-3-4-6-17(16)20(26-19)27-21(28)14-7-9-15(23)10-8-14/h3-10,13H,12H2,1-2H3,(H,25,29)(H,26,27,28)/b19-18-