5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile

Systemtic Name: 5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile Openeye Name: 5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile CAS Name: 5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile IUPAC Name: 5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile Traditional Name: 5-(1-adamantylmethoxymethyl)benzene-1,2,4-tricarbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COCC4=C(C=C(C(=C4)C#N)C#N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COCC4=C(C=C(C(=C4)C#N)C#N)C#N

InChI

InChI=1S/C21H21N3O/c22-9-17-4-19(11-24)20(5-18(17)10-23)12-25-13-21-6-14-1-15(7-21)3-16(2-14)8-21/h4-5,14-16H,1-3,6-8,12-13H2