2-(2-ethoxyphenyl)-2-(pyrimidin-4-ylmethyl)pentanenitrile

Systemtic Name: 2-(2-ethoxyphenyl)-2-(pyrimidin-4-ylmethyl)pentanenitrile Openeye Name: 2-(2-ethoxyphenyl)-2-(pyrimidin-4-ylmethyl)pentanenitrile CAS Name: 2-(2-ethoxyphenyl)-2-(4-pyrimidinylmethyl)pentanenitrile IUPAC Name: 2-(2-ethoxyphenyl)-2-(pyrimidin-4-ylmethyl)pentanenitrile Traditional Name: 2-o-phenetyl-2-(4-pyrimidylmethyl)valeronitrile Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=NC=NC=C1)(C#N)C2=CC=CC=C2OCC

Isomeric SMILES

CCCC(CC1=NC=NC=C1)(C#N)C2=CC=CC=C2OCC

InChI

InChI=1S/C18H21N3O/c1-3-10-18(13-19,12-15-9-11-20-14-21-15)16-7-5-6-8-17(16)22-4-2/h5-9,11,14H,3-4,10,12H2,1-2H3