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

Systemtic Name: 3-chloranyl-N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]benzamide Openeye Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]benzamide CAS Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]benzamide IUPAC Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]benzamide Traditional Name: 3-chloro-N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]benzamide Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2/c1-14(2)10-11-26-23(30)19(13-25)20-17-8-3-4-9-18(17)21(27-20)28-22(29)15-6-5-7-16(24)12-15/h3-9,12,14H,10-11H2,1-2H3,(H,26,30)(H,27,28,29)/b20-19-