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

Systemtic Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]-2-fluoranyl-benzamide Openeye Name: N-[3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]-2-fluoro-benzamide CAS Name: N-[3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]-2-fluorobenzamide IUPAC Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-2-fluorobenzamide Traditional Name: N-[3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]-2-fluoro-benzamide Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C22H17FN4O3/c23-18-8-4-3-7-16(18)21(28)26-20-15-6-2-1-5-14(15)19(25-20)17(13-24)22(29)27-9-11-30-12-10-27/h1-8H,9-12H2,(H,25,26,28)