2-chloranyl-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(p-tolylmethylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-[(4-methylphenyl)methylamino]-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-keto-2-[(4-methylbenzyl)amino]ethylidene]isoindol-1-yl]benzamide Formula: C26H19ClN4O2 MolecularWeight: 454.90766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4Cl)/C#N

InChI

InChI=1S/C26H19ClN4O2/c1-16-10-12-17(13-11-16)15-29-25(32)21(14-28)23-18-6-2-3-7-19(18)24(30-23)31-26(33)20-8-4-5-9-22(20)27/h2-13H,15H2,1H3,(H,29,32)(H,30,31,33)/b23-21-