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

Systemtic Name: 2-chloranyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: 2-chloro-N-[(3Z)-3-[1-cyano-2-keto-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C21H17ClN4O2/c1-2-11-24-20(27)16(12-23)18-13-7-3-4-8-14(13)19(25-18)26-21(28)15-9-5-6-10-17(15)22/h3-10H,2,11H2,1H3,(H,24,27)(H,25,26,28)/b18-16-