2-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile

Systemtic Name: 2-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile Openeye Name: 2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile CAS Name: 2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile IUPAC Name: 2-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-2-adamantyl]propanedinitrile Traditional Name: 2-[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-2-adamantyl]malononitrile Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2(C3CC4CC(C3)CC2C4)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C2(C3CC4CC(C3)CC2C4)C(C#N)C#N

InChI

InChI=1S/C17H20N4O/c1-9-15(16(22)21-20-9)17(14(7-18)8-19)12-3-10-2-11(5-12)6-13(17)4-10/h10-14H,2-6H2,1H3,(H2,20,21,22)