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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c1-2-12-23-21(27)17(13-22)18-15-10-6-7-11-16(15)19(24-18)25-20(26)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3,(H,23,27)(H,24,25,26)/b18-17-