2-[(4-chlorophenyl)methyl]-3-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]propanenitrile

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]propanenitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]propanenitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-(2-pyrazinyl)-2-[4-(trifluoromethyl)phenyl]propanenitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]propanenitrile Traditional Name: 2-(4-chlorobenzyl)-3-pyrazin-2-yl-2-[4-(trifluoromethyl)phenyl]propionitrile Formula: C21H15ClF3N3 MolecularWeight: 401.81211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC2=NC=CN=C2)(C#N)C3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(CC2=NC=CN=C2)(C#N)C3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H15ClF3N3/c22-18-7-1-15(2-8-18)11-20(14-26,12-19-13-27-9-10-28-19)16-3-5-17(6-4-16)21(23,24)25/h1-10,13H,11-12H2