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

Systemtic Name: 3-bromanyl-N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C24H23BrN4O2 MolecularWeight: 479.36902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Br)C#N

Isomeric SMILES

CCCCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Br)/C#N

InChI

InChI=1S/C24H23BrN4O2/c1-2-3-4-7-13-27-24(31)20(15-26)21-18-11-5-6-12-19(18)22(28-21)29-23(30)16-9-8-10-17(25)14-16/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,27,31)(H,28,29,30)/b21-20-