2,4-bis(4-chlorophenyl)-2-(pyrimidin-5-ylmethyl)butanenitrile

Systemtic Name: 2,4-bis(4-chlorophenyl)-2-(pyrimidin-5-ylmethyl)butanenitrile Openeye Name: 2,4-bis(4-chlorophenyl)-2-(pyrimidin-5-ylmethyl)butanenitrile CAS Name: 2,4-bis(4-chlorophenyl)-2-(5-pyrimidinylmethyl)butanenitrile IUPAC Name: 2,4-bis(4-chlorophenyl)-2-(pyrimidin-5-ylmethyl)butanenitrile Traditional Name: 2,4-bis(4-chlorophenyl)-2-(5-pyrimidylmethyl)butyronitrile Formula: C21H17Cl2N3 MolecularWeight: 382.28578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CC2=CN=CN=C2)(C#N)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CC2=CN=CN=C2)(C#N)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3/c22-19-5-1-16(2-6-19)9-10-21(14-24,11-17-12-25-15-26-13-17)18-3-7-20(23)8-4-18/h1-8,12-13,15H,9-11H2