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

Systemtic Name: 4-tert-butyl-N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-[1-cyano-2-(2-furylmethylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[3-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-[1-cyano-2-(2-furfurylamino)-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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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)NCC3=CC=CO3)C4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C42

InChI

InChI=1S/C27H24N4O3/c1-27(2,3)18-12-10-17(11-13-18)25(32)31-24-21-9-5-4-8-20(21)23(30-24)22(15-28)26(33)29-16-19-7-6-14-34-19/h4-14H,16H2,1-3H3,(H,29,33)(H,30,31,32)