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

Systemtic Name: 2-chloranyl-N-[3-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: 2-chloro-N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 2-chloro-N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 2-chloro-N-[3-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: 2-chloro-N-[3-[1-cyano-2-keto-2-(phenethylamino)ethylidene]isoindol-1-yl]benzamide Formula: C26H19ClN4O2 MolecularWeight: 454.90766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN4O2/c27-22-13-7-6-12-20(22)26(33)31-24-19-11-5-4-10-18(19)23(30-24)21(16-28)25(32)29-15-14-17-8-2-1-3-9-17/h1-13H,14-15H2,(H,29,32)(H,30,31,33)