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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-2-fluoro-benzamide Formula: C26H19FN4O2 MolecularWeight: 438.453063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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