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

Systemtic Name: 4-tert-butyl-N-[(3E)-3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[(3E)-3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[(3E)-3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3E)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[(3E)-3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]benzamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=N/C(=C(\C#N)/C(=O)N3CCOCC3)/C4=CC=CC=C42

InChI

InChI=1S/C26H26N4O3/c1-26(2,3)18-10-8-17(9-11-18)24(31)29-23-20-7-5-4-6-19(20)22(28-23)21(16-27)25(32)30-12-14-33-15-13-30/h4-11H,12-15H2,1-3H3,(H,28,29,31)/b22-21+