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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]-2-methyl-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]-2-methyl-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]-2-methylbenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]-2-methylbenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(propylamino)ethylidene]isoindol-1-yl]-2-methyl-benzamide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3C)C#N

Isomeric SMILES

CCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3C)/C#N

InChI

InChI=1S/C22H20N4O2/c1-3-12-24-21(27)18(13-23)19-16-10-6-7-11-17(16)20(25-19)26-22(28)15-9-5-4-8-14(15)2/h4-11H,3,12H2,1-2H3,(H,24,27)(H,25,26,28)/b19-18-