5-bromanyl-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(p-tolylmethylamino)ethylidene]isoindol-1-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]-1-isoindolyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(3Z)-3-[1-cyano-2-keto-2-[(4-methylbenzyl)amino]ethylidene]isoindol-1-yl]-2-furamide Formula: C24H17BrN4O3 MolecularWeight: 489.32078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(O4)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(O4)Br)/C#N

InChI

InChI=1S/C24H17BrN4O3/c1-14-6-8-15(9-7-14)13-27-23(30)18(12-26)21-16-4-2-3-5-17(16)22(28-21)29-24(31)19-10-11-20(25)32-19/h2-11H,13H2,1H3,(H,27,30)(H,28,29,31)/b21-18-