2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrimidin-5-yl-propanenitrile

Systemtic Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrimidin-5-yl-propanenitrile Openeye Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrimidin-5-yl-propanenitrile CAS Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(5-pyrimidinyl)propanenitrile IUPAC Name: 2-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-pyrimidin-5-ylpropanenitrile Traditional Name: 2-(3-chlorobenzyl)-2-(4-fluorophenyl)-3-(5-pyrimidyl)propionitrile Formula: C20H15ClFN3 MolecularWeight: 351.804603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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