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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxo-ethylidene]isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-keto-ethylidene]isoindol-1-yl]-2-fluoro-benzamide Formula: C24H23FN4O2 MolecularWeight: 418.463423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O2/c1-2-3-4-9-14-27-23(30)19(15-26)21-16-10-5-6-11-17(16)22(28-21)29-24(31)18-12-7-8-13-20(18)25/h5-8,10-13H,2-4,9,14H2,1H3,(H,27,30)(H,28,29,31)/b21-19-