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

Systemtic Name: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[(3Z)-3-[1-cyano-2-keto-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Formula: C30H28N4O2 MolecularWeight: 476.56892

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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)NCCC3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NCCC3=CC=CC=C3)/C4=CC=CC=C42

InChI

InChI=1S/C30H28N4O2/c1-30(2,3)22-15-13-21(14-16-22)28(35)34-27-24-12-8-7-11-23(24)26(33-27)25(19-31)29(36)32-18-17-20-9-5-4-6-10-20/h4-16H,17-18H2,1-3H3,(H,32,36)(H,33,34,35)/b26-25-