N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide

Systemtic Name: N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-oxo-ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[(3E)-3-[1-cyano-2-(cyclohexylamino)-2-keto-ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=NC(=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=N/C(=C(\C#N)/C(=O)NC3CCCCC3)/C4=CC=CC=C42

InChI

InChI=1S/C25H24N4O2/c1-16-9-5-6-12-18(16)24(30)29-23-20-14-8-7-13-19(20)22(28-23)21(15-26)25(31)27-17-10-3-2-4-11-17/h5-9,12-14,17H,2-4,10-11H2,1H3,(H,27,31)(H,28,29,30)/b22-21+