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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]-2-fluoro-benzamide Formula: C23H21FN4O2 MolecularWeight: 404.436843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O2/c1-14(2)11-12-26-22(29)18(13-25)20-15-7-3-4-8-16(15)21(27-20)28-23(30)17-9-5-6-10-19(17)24/h3-10,14H,11-12H2,1-2H3,(H,26,29)(H,27,28,30)/b20-18-