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

Systemtic Name: 2-chloranyl-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-(2-methylpropylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-(isobutylamino)-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC(C)CNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C22H19ClN4O2/c1-13(2)12-25-21(28)17(11-24)19-14-7-3-4-8-15(14)20(26-19)27-22(29)16-9-5-6-10-18(16)23/h3-10,13H,12H2,1-2H3,(H,25,28)(H,26,27,29)/b19-17-