2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanyl-4-methanoyl-cyclopent-3-ene-1,1,2-tricarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanyl-4-methanoyl-cyclopent-3-ene-1,1,2-tricarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-3-amino-4-formyl-cyclopent-3-ene-1,1,2-tricarbonitrile CAS Name: 2-[2-(1-adamantyl)-2-oxoethyl]-3-amino-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]-3-amino-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-3-amino-4-formyl-cyclopent-3-ene-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(=C(CC4(C#N)C#N)C=O)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=C(CC4(C#N)C#N)C=O)N)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/h9,13-15H,1-8,25H2