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

Systemtic Name: 4-tert-butyl-N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-[1-cyano-2-keto-2-(3-methoxypropylamino)ethylidene]isoindol-1-yl]benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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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)NCCCOC)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCCOC)C3=CC=CC=C32

InChI

InChI=1S/C26H28N4O3/c1-26(2,3)18-12-10-17(11-13-18)24(31)30-23-20-9-6-5-8-19(20)22(29-23)21(16-27)25(32)28-14-7-15-33-4/h5-6,8-13H,7,14-15H2,1-4H3,(H,28,32)(H,29,30,31)