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

Systemtic Name: N-[(3E)-3-[1-cyano-2-(cyclopentylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3E)-3-[1-cyano-2-(cyclopentylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3E)-3-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3E)-3-[1-cyano-2-(cyclopentylamino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3E)-3-[1-cyano-2-(cyclopentylamino)-2-keto-ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NC3CCCC3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(\C#N)/C(=O)NC3CCCC3)/C4=CC=CC=C42

InChI

InChI=1S/C24H22N4O2/c1-15-10-12-16(13-11-15)23(29)28-22-19-9-5-4-8-18(19)21(27-22)20(14-25)24(30)26-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7H2,1H3,(H,26,30)(H,27,28,29)/b21-20+