3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxidanylidene-cyclohexyl]propanenitrile

Systemtic Name: 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxidanylidene-cyclohexyl]propanenitrile Openeye Name: 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile CAS Name: 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile IUPAC Name: 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile Traditional Name: 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-keto-cyclohexyl]propionitrile Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(C(=O)C(C1)(CCC#N)CCC#N)(CCC#N)CCC#N

Isomeric SMILES

CC(C)(C)C1CC(C(=O)C(C1)(CCC#N)CCC#N)(CCC#N)CCC#N

InChI

InChI=1S/C22H30N4O/c1-20(2,3)18-16-21(8-4-12-23,9-5-13-24)19(27)22(17-18,10-6-14-25)11-7-15-26/h18H,4-11,16-17H2,1-3H3