(2S)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanylidene-4-methanoyl-cyclopentane-1,1,2-tricarbonitrile

Systemtic Name: (2S)-2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanylidene-4-methanoyl-cyclopentane-1,1,2-tricarbonitrile Openeye Name: (2S)-2-[2-(1-adamantyl)-2-oxo-ethyl]-4-formyl-3-imino-cyclopentane-1,1,2-tricarbonitrile CAS Name: (2S)-2-[2-(1-adamantyl)-2-oxoethyl]-4-formyl-3-iminocyclopentane-1,1,2-tricarbonitrile IUPAC Name: (2S)-2-[2-(1-adamantyl)-2-oxoethyl]-4-formyl-3-iminocyclopentane-1,1,2-tricarbonitrile Traditional Name: (2S)-2-[2-(1-adamantyl)-2-keto-ethyl]-4-formyl-3-imino-cyclopentane-1,1,2-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=N)C(CC4(C#N)C#N)C=O)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[C@]4(C(=N)C(CC4(C#N)C#N)C=O)C#N

InChI

InChI=1S/C21H22N4O2/c22-10-20(11-23)7-16(9-26)18(25)21(20,12-24)8-17(27)19-4-13-1-14(5-19)3-15(2-13)6-19/h9,13-16,25H,1-8H2/t13?,14?,15?,16?,19?,21-/m1/s1