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

Systemtic Name: 4-tert-butyl-N-[3-(1-cyano-2-oxidanylidene-2-piperidin-1-yl-ethylidene)isoindol-1-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-[1-cyano-2-oxo-2-(1-piperidyl)ethylidene]isoindol-1-yl]benzamide CAS Name: 4-tert-butyl-N-[3-[1-cyano-2-oxo-2-(1-piperidinyl)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)isoindol-1-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-(1-cyano-2-keto-2-piperidino-ethylidene)isoindol-1-yl]benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C42

InChI

InChI=1S/C27H28N4O2/c1-27(2,3)19-13-11-18(12-14-19)25(32)30-24-21-10-6-5-9-20(21)23(29-24)22(17-28)26(33)31-15-7-4-8-16-31/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,29,30,32)