5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile

Systemtic Name: 5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile Openeye Name: 5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile CAS Name: 5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile IUPAC Name: 5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile Traditional Name: 5-[1-adamantyl(methoxy)methyl]benzene-1,2,4-tricarbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=C(C(=C1)C#N)C#N)C#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(C1=C(C=C(C(=C1)C#N)C#N)C#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H21N3O/c1-25-20(19-6-17(11-23)16(10-22)5-18(19)12-24)21-7-13-2-14(8-21)4-15(3-13)9-21/h5-6,13-15,20H,2-4,7-9H2,1H3