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

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

Isomeric SMILES

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

InChI

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