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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/2\C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H22N4O2/c25-15-20(24(30)26-17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)22(27-21)28-23(29)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H,26,30)(H,27,28,29)/b21-20+