2-(4-chlorophenyl)-2-(phenylmethyl)-3-pyrimidin-5-yl-propanenitrile

Systemtic Name: 2-(4-chlorophenyl)-2-(phenylmethyl)-3-pyrimidin-5-yl-propanenitrile Openeye Name: 2-benzyl-2-(4-chlorophenyl)-3-pyrimidin-5-yl-propanenitrile CAS Name: 2-(4-chlorophenyl)-2-(phenylmethyl)-3-(5-pyrimidinyl)propanenitrile IUPAC Name: 2-benzyl-2-(4-chlorophenyl)-3-pyrimidin-5-ylpropanenitrile Traditional Name: 2-benzyl-2-(4-chlorophenyl)-3-(5-pyrimidyl)propionitrile Formula: C20H16ClN3 MolecularWeight: 333.81414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3/c21-19-8-6-18(7-9-19)20(14-22,10-16-4-2-1-3-5-16)11-17-12-23-15-24-13-17/h1-9,12-13,15H,10-11H2