N-(3-iodanylphenyl)-2-(3-methylpentan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(3-iodanylphenyl)-2-(3-methylpentan-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-(1,2-dimethylbutyl)-N-(3-iodophenyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(3-iodophenyl)-2-(3-methylpentan-2-yl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(3-iodophenyl)-2-(3-methylpentan-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-(1,2-dimethylbutyl)-N-(3-iodophenyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CCC(C)C(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C21H21IN2O3/c1-4-12(2)13(3)24-20(26)17-9-8-14(10-18(17)21(24)27)19(25)23-16-7-5-6-15(22)11-16/h5-13H,4H2,1-3H3,(H,23,25)