5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile

Systemtic Name: 5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile Openeye Name: 5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile CAS Name: 5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile IUPAC Name: 5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile Traditional Name: 5-[(5S,7R)-3-(methoxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC12CC3CC(C1)CC(C3)(C2)C4=C(C=C(C(=C4)C#N)C#N)C#N

Isomeric SMILES

COCC12C[C@H]3C[C@@H](C1)CC(C3)(C2)C4=C(C=C(C(=C4)C#N)C#N)C#N

InChI

InChI=1S/C21H21N3O/c1-25-13-20-5-14-2-15(6-20)8-21(7-14,12-20)19-4-17(10-23)16(9-22)3-18(19)11-24/h3-4,14-15H,2,5-8,12-13H2,1H3/t14-,15+,20?,21?