2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-(1-adamantylamino)-2-[2-(trifluoromethyl)phenyl]acetonitrile Formula: C19H21F3N2 MolecularWeight: 334.37865

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H21F3N2/c20-19(21,22)16-4-2-1-3-15(16)17(11-23)24-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,17,24H,5-10H2