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

Systemtic Name: 5-[(5R,7S)-3-tert-butyl-1-adamantyl]benzene-1,2,4-tricarbonitrile Openeye Name: 5-[(5R,7S)-3-tert-butyl-1-adamantyl]benzene-1,2,4-tricarbonitrile CAS Name: 5-[(5R,7S)-3-tert-butyl-1-adamantyl]benzene-1,2,4-tricarbonitrile IUPAC Name: 5-[(5R,7S)-3-tert-butyl-1-adamantyl]benzene-1,2,4-tricarbonitrile Traditional Name: 5-[(5R,7S)-3-tert-butyl-1-adamantyl]benzene-1,2,4-tricarbonitrile Formula: C23H25N3 MolecularWeight: 343.4647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C12CC3CC(C1)CC(C3)(C2)C4=C(C=C(C(=C4)C#N)C#N)C#N

Isomeric SMILES

CC(C)(C)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=C(C=C(C(=C4)C#N)C#N)C#N

InChI

InChI=1S/C23H25N3/c1-21(2,3)23-9-15-4-16(10-23)8-22(7-15,14-23)20-6-18(12-25)17(11-24)5-19(20)13-26/h5-6,15-16H,4,7-10,14H2,1-3H3/t15-,16+,22?,23?