2-[4-(trifluoromethyl)phenyl]adamantane-2-carbonitrile

Systemtic Name: 2-[4-(trifluoromethyl)phenyl]adamantane-2-carbonitrile Openeye Name: 2-[4-(trifluoromethyl)phenyl]adamantane-2-carbonitrile CAS Name: 2-[4-(trifluoromethyl)phenyl]-2-adamantanecarbonitrile IUPAC Name: 2-[4-(trifluoromethyl)phenyl]adamantane-2-carbonitrile Traditional Name: 2-[4-(trifluoromethyl)phenyl]adamantane-2-carbonitrile Formula: C18H18F3N MolecularWeight: 305.33743

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C#N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C#N)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H18F3N/c19-18(20,21)14-3-1-13(2-4-14)17(10-22)15-6-11-5-12(8-15)9-16(17)7-11/h1-4,11-12,15-16H,5-9H2