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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(p-tolylmethylamino)ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-[(4-methylbenzyl)amino]ethylidene]isoindol-1-yl]-4-fluoro-benzamide Formula: C26H19FN4O2 MolecularWeight: 438.453063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)/C#N

InChI

InChI=1S/C26H19FN4O2/c1-16-6-8-17(9-7-16)15-29-26(33)22(14-28)23-20-4-2-3-5-21(20)24(30-23)31-25(32)18-10-12-19(27)13-11-18/h2-13H,15H2,1H3,(H,29,33)(H,30,31,32)/b23-22-