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

Systemtic Name: 5-[(5R,7S)-3-cyano-1-adamantyl]benzene-1,2,4-tricarbonitrile Openeye Name: 5-[(5R,7S)-3-cyano-1-adamantyl]benzene-1,2,4-tricarbonitrile CAS Name: 5-[(5R,7S)-3-cyano-1-adamantyl]benzene-1,2,4-tricarbonitrile IUPAC Name: 5-[(5R,7S)-3-cyano-1-adamantyl]benzene-1,2,4-tricarbonitrile Traditional Name: 5-[(5R,7S)-3-cyano-1-adamantyl]benzene-1,2,4-tricarbonitrile Formula: C20H16N4 MolecularWeight: 312.36784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4/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/h2-3,13-14H,1,4-7,11H2/t13-,14+,19?,20?