N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NC(C)C3=CC=CC=C3)/C4=CC=CC=C42

InChI

InChI=1S/C27H22N4O2/c1-17-12-14-20(15-13-17)26(32)31-25-22-11-7-6-10-21(22)24(30-25)23(16-28)27(33)29-18(2)19-8-4-3-5-9-19/h3-15,18H,1-2H3,(H,29,33)(H,30,31,32)/b24-23-