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

Systemtic Name: 3-bromanyl-N-[(3Z)-3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]benzamide Openeye Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(1-piperidyl)ethylidene]isoindol-1-yl]benzamide CAS Name: 3-bromo-N-[(3Z)-3-[1-cyano-2-oxo-2-(1-piperidinyl)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 3-bromo-N-[(3Z)-3-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)isoindol-1-yl]benzamide Traditional Name: 3-bromo-N-[(3Z)-3-(1-cyano-2-keto-2-piperidino-ethylidene)isoindol-1-yl]benzamide Formula: C23H19BrN4O2 MolecularWeight: 463.32656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)Br)/C#N

InChI

InChI=1S/C23H19BrN4O2/c24-16-8-6-7-15(13-16)22(29)27-21-18-10-3-2-9-17(18)20(26-21)19(14-25)23(30)28-11-4-1-5-12-28/h2-3,6-10,13H,1,4-5,11-12H2,(H,26,27,29)/b20-19-