3-[1,3-bis(2-cyanoethyl)-3-(cyclohexen-1-yl)-2-oxidanylidene-cyclohexyl]propanenitrile

Systemtic Name: 3-[1,3-bis(2-cyanoethyl)-3-(cyclohexen-1-yl)-2-oxidanylidene-cyclohexyl]propanenitrile Openeye Name: 3-[1,3-bis(2-cyanoethyl)-3-(cyclohexen-1-yl)-2-oxo-cyclohexyl]propanenitrile CAS Name: 3-[1,3-bis(2-cyanoethyl)-3-(1-cyclohexenyl)-2-oxocyclohexyl]propanenitrile IUPAC Name: 3-[1,3-bis(2-cyanoethyl)-3-(cyclohexen-1-yl)-2-oxocyclohexyl]propanenitrile Traditional Name: 3-[1,3-bis(2-cyanoethyl)-3-(cyclohexen-1-yl)-2-keto-cyclohexyl]propionitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2(CCCC(C2=O)(CCC#N)CCC#N)CCC#N

Isomeric SMILES

C1CCC(=CC1)C2(CCCC(C2=O)(CCC#N)CCC#N)CCC#N

InChI

InChI=1S/C21H27N3O/c22-15-5-11-20(12-6-16-23)10-4-13-21(19(20)25,14-7-17-24)18-8-2-1-3-9-18/h8H,1-7,9-14H2