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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2/c1-2-3-11-25-22(29)18(13-24)19-16-9-4-5-10-17(16)20(26-19)27-21(28)14-7-6-8-15(23)12-14/h4-10,12H,2-3,11H2,1H3,(H,25,29)(H,26,27,28)/b19-18-