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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-methyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]-1-isoindolyl]-4-methylbenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-methylbenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(2-methoxyethylamino)ethylidene]isoindol-1-yl]-4-methyl-benzamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C#N)C(=O)NCCOC)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=N/C(=C(/C#N)\C(=O)NCCOC)/C3=CC=CC=C32

InChI

InChI=1S/C22H20N4O3/c1-14-7-9-15(10-8-14)21(27)26-20-17-6-4-3-5-16(17)19(25-20)18(13-23)22(28)24-11-12-29-2/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,26,27)/b19-18-