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

Systemtic Name: 4-tert-butyl-N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[(3Z)-3-[2-(butylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-5-6-15-28-25(32)21(16-27)22-19-9-7-8-10-20(19)23(29-22)30-24(31)17-11-13-18(14-12-17)26(2,3)4/h7-14H,5-6,15H2,1-4H3,(H,28,32)(H,29,30,31)/b22-21-