3-(2-iodanylcyclohexen-1-yl)-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-iodanylcyclohexen-1-yl)-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-iodocyclohexen-1-yl)-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(2-iodo-1-cyclohexenyl)-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(2-iodocyclohexen-1-yl)-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(2-iodocyclohexen-1-yl)-3-keto-2-(3-methyl-1,2,3a,4,5,6,7,7a-octahydrobenzimidazol-2-yl)propionitrile Formula: C17H24IN3O MolecularWeight: 413.29643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCCC2NC1C(C#N)C(=O)C3=C(CCCC3)I

Isomeric SMILES

CN1C2CCCCC2NC1C(C#N)C(=O)C3=C(CCCC3)I

InChI

InChI=1S/C17H24IN3O/c1-21-15-9-5-4-8-14(15)20-17(21)12(10-19)16(22)11-6-2-3-7-13(11)18/h12,14-15,17,20H,2-9H2,1H3