N-[3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-methoxy-benzamide Openeye Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-methoxy-benzamide CAS Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-1-isoindolyl]-4-methoxybenzamide IUPAC Name: N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-methoxybenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-(phenethylamino)ethylidene]isoindol-1-yl]-4-methoxy-benzamide Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C42

InChI

InChI=1S/C27H22N4O3/c1-34-20-13-11-19(12-14-20)26(32)31-25-22-10-6-5-9-21(22)24(30-25)23(17-28)27(33)29-16-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,29,33)(H,30,31,32)