2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]malononitrile Formula: C23H22N4 MolecularWeight: 354.44758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C#N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C#N)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4/c24-13-19(14-25)9-20-15-27(21-4-2-1-3-5-21)26-22(20)23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,9,15-18H,6-8,10-12H2