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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]-4-fluoro-benzamide Formula: C23H21FN4O2 MolecularWeight: 404.436843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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