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

Systemtic Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[3-(1-cyano-2-morpholino-2-oxo-ethylidene)isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[3-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[3-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[3-(1-cyano-2-keto-2-morpholino-ethylidene)isoindol-1-yl]-4-methyl-benzamide Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C42

InChI

InChI=1S/C23H20N4O3/c1-15-6-8-16(9-7-15)22(28)26-21-18-5-3-2-4-17(18)20(25-21)19(14-24)23(29)27-10-12-30-13-11-27/h2-9H,10-13H2,1H3,(H,25,26,28)