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

Systemtic Name: 4-chloranyl-N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Openeye Name: 4-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide CAS Name: 4-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]benzamide IUPAC Name: 4-chloro-N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]benzamide Traditional Name: 4-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=C(C=C3)Cl)C#N

Isomeric SMILES

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

InChI

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