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

Systemtic Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethylidene]isoindol-1-yl]-4-fluoro-benzamide CAS Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-4-fluorobenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethylidene]isoindol-1-yl]-4-fluoro-benzamide Formula: C27H21FN4O3 MolecularWeight: 468.479043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C27H21FN4O3/c1-35-20-12-6-17(7-13-20)14-15-30-27(34)23(16-29)24-21-4-2-3-5-22(21)25(31-24)32-26(33)18-8-10-19(28)11-9-18/h2-13H,14-15H2,1H3,(H,30,34)(H,31,32,33)