4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-pyrimidin-5-yl-butanenitrile

Systemtic Name: 4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-pyrimidin-5-yl-butanenitrile Openeye Name: 4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-pyrimidin-5-yl-butanenitrile CAS Name: 4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-(5-pyrimidinyl)butanenitrile IUPAC Name: 4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-pyrimidin-5-ylbutanenitrile Traditional Name: 4-(4-chlorophenyl)-2-(2-fluorophenyl)-2-(5-pyrimidyl)butyronitrile Formula: C20H15ClFN3 MolecularWeight: 351.804603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CCC2=CC=C(C=C2)Cl)(C#N)C3=CN=CN=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(CCC2=CC=C(C=C2)Cl)(C#N)C3=CN=CN=C3)F

InChI

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