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

Systemtic Name: N-[(3E)-3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]benzamide Openeye Name: N-[(3E)-3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]benzamide CAS Name: N-[(3E)-3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: N-[(3E)-3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]benzamide Traditional Name: N-[(3E)-3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]benzamide Formula: C22H18N4O3 MolecularWeight: 386.40332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C/2\C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H18N4O3/c23-14-18(22(28)26-10-12-29-13-11-26)19-16-8-4-5-9-17(16)20(24-19)25-21(27)15-6-2-1-3-7-15/h1-9H,10-13H2,(H,24,25,27)/b19-18+