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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrazin-2-yl-propanenitrile Openeye Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrazin-2-yl-propanenitrile CAS Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(2-pyrazinyl)propanenitrile IUPAC Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrazin-2-ylpropanenitrile Traditional Name: 2-(3-chlorobenzyl)-2-(4-fluorophenyl)-3-pyrazin-2-yl-propionitrile Formula: C20H15ClFN3 MolecularWeight: 351.804603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFN3/c21-17-3-1-2-15(10-17)11-20(14-23,12-19-13-24-8-9-25-19)16-4-6-18(22)7-5-16/h1-10,13H,11-12H2