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

Systemtic Name: 4-bromanyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 4-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: 4-bromo-N-[(3Z)-3-[1-cyano-2-keto-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Formula: C26H19BrN4O2 MolecularWeight: 499.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H19BrN4O2/c27-19-12-10-18(11-13-19)25(32)31-24-21-9-5-4-8-20(21)23(30-24)22(16-28)26(33)29-15-14-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,29,33)(H,30,31,32)/b23-22-