N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-2-methyl-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C26H20N4O2 MolecularWeight: 420.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC(=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=N/C(=C(/C#N)\C(=O)NCC3=CC=CC=C3)/C4=CC=CC=C42

InChI

InChI=1S/C26H20N4O2/c1-17-9-5-6-12-19(17)26(32)30-24-21-14-8-7-13-20(21)23(29-24)22(15-27)25(31)28-16-18-10-3-2-4-11-18/h2-14H,16H2,1H3,(H,28,31)(H,29,30,32)/b23-22-