N-[(3E)-3-[1-cyano-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide

Systemtic Name: N-[(3E)-3-[1-cyano-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3E)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3E)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3E)-3-[1-cyano-2-(2,5-dimethylanilino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3E)-3-[1-cyano-2-(2,5-dimethylanilino)-2-keto-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)NC3=C(C=CC(=C3)C)C)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(\C#N)/C(=O)NC3=C(C=CC(=C3)C)C)/C4=CC=CC=C42

InChI

InChI=1S/C27H22N4O2/c1-16-9-12-19(13-10-16)26(32)31-25-21-7-5-4-6-20(21)24(30-25)22(15-28)27(33)29-23-14-17(2)8-11-18(23)3/h4-14H,1-3H3,(H,29,33)(H,30,31,32)/b24-22+