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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-2-fluoro-benzamide Formula: C25H17FN4O2 MolecularWeight: 424.426483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)/C#N

InChI

InChI=1S/C25H17FN4O2/c26-21-13-7-6-12-19(21)25(32)30-23-18-11-5-4-10-17(18)22(29-23)20(14-27)24(31)28-15-16-8-2-1-3-9-16/h1-13H,15H2,(H,28,31)(H,29,30,32)/b22-20-