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

Systemtic Name: 5-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile Openeye Name: 5-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile CAS Name: 5-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile IUPAC Name: 5-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]benzene-1,2,4-tricarbonitrile Traditional Name: 5-[(5S,7R)-3-methylol-1-adamantyl]benzene-1,2,4-tricarbonitrile Formula: C20H19N3O MolecularWeight: 317.38436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=C(C=C(C(=C4)C#N)C#N)C#N)CO

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C4=C(C=C(C(=C4)C#N)C#N)C#N)CO

InChI

InChI=1S/C20H19N3O/c21-8-15-2-17(10-23)18(3-16(15)9-22)20-6-13-1-14(7-20)5-19(4-13,11-20)12-24/h2-3,13-14,24H,1,4-7,11-12H2/t13-,14+,19?,20?