3-[4-(5-hexylpyrimidin-2-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propiolonitrile Formula: C19H19N3 MolecularWeight: 289.37426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C19H19N3/c1-2-3-4-5-7-17-14-21-19(22-15-17)18-11-9-16(10-12-18)8-6-13-20/h9-12,14-15H,2-5,7H2,1H3